N-[(2S,3R)-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3,4-bis(oxidanyl)benzamide

Systemtic Name: N-[(2S,3R)-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3,4-bis(oxidanyl)benzamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)sulfonyl-(2-thienylmethyl)amino]propyl]-3,4-dihydroxy-benzamide CAS Name: 3,4-dihydroxy-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide IUPAC Name: 3,4-dihydroxy-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)sulfonyl-(2-thenyl)amino]propyl]-3,4-dihydroxy-benzamide Formula: C29H30N2O7S2 MolecularWeight: 582.6877

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=CS2)CC(C(CC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)O)O)O

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=CS2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)O)O)O

InChI

InChI=1S/C29H30N2O7S2/c1-38-22-9-5-11-24(17-22)40(36,37)31(18-23-10-6-14-39-23)19-28(34)25(15-20-7-3-2-4-8-20)30-29(35)21-12-13-26(32)27(33)16-21/h2-14,16-17,25,28,32-34H,15,18-19H2,1H3,(H,30,35)/t25-,28+/m0/s1