(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: (6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone CAS Name: (6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Traditional Name: (4-benzylpiperidino)-(4-mesyl-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N2O4S/c1-17-8-9-21-20(14-17)25(30(2,27)28)16-22(29-21)23(26)24-12-10-19(11-13-24)15-18-6-4-3-5-7-18/h3-9,14,19,22H,10-13,15-16H2,1-2H3