3-[[(3aR,4R,5R,7R,8R,8aR)-4-[(3-aminophenyl)methoxy]-2,2-dimethyl-5,7-bis(phenylmethyl)-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxol-8-yl]oxymethyl]aniline

Systemtic Name: 3-[[(3aR,4R,5R,7R,8R,8aR)-4-[(3-aminophenyl)methoxy]-2,2-dimethyl-5,7-bis(phenylmethyl)-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxol-8-yl]oxymethyl]aniline Openeye Name: 3-[[(3aR,4R,5R,7R,8R,8aR)-4-[(3-aminophenyl)methoxy]-5,7-dibenzyl-2,2-dimethyl-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxol-8-yl]oxymethyl]aniline CAS Name: 3-[[(3aR,4R,5R,7R,8R,8aR)-4-[(3-aminophenyl)methoxy]-2,2-dimethyl-5,7-bis(phenylmethyl)-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxol-8-yl]oxymethyl]aniline IUPAC Name: 3-[[(3aR,4R,5R,7R,8R,8aR)-4-[(3-aminophenyl)methoxy]-5,7-dibenzyl-2,2-dimethyl-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxol-8-yl]oxymethyl]aniline Traditional Name: [3-[[(3aR,4R,5R,7R,8R,8aR)-4-(3-aminobenzyl)oxy-5,7-dibenzyl-2,2-dimethyl-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxol-8-yl]oxymethyl]phenyl]amine Formula: C37H42N2O4S MolecularWeight: 610.80538

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(O1)C(C(SC(C2OCC3=CC(=CC=C3)N)CC4=CC=CC=C4)CC5=CC=CC=C5)OCC6=CC(=CC=C6)N)C

Isomeric SMILES

CC1(O[C@@H]2[C@@H](O1)[C@H]([C@H](S[C@@H]([C@@H]2OCC3=CC(=CC=C3)N)CC4=CC=CC=C4)CC5=CC=CC=C5)OCC6=CC(=CC=C6)N)C

InChI

InChI=1S/C37H42N2O4S/c1-37(2)42-35-33(40-23-27-15-9-17-29(38)19-27)31(21-25-11-5-3-6-12-25)44-32(22-26-13-7-4-8-14-26)34(36(35)43-37)41-24-28-16-10-18-30(39)20-28/h3-20,31-36H,21-24,38-39H2,1-2H3/t31-,32-,33+,34+,35+,36+/m1/s1