N-[(2S,3R)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]cycloheptanecarboxamide

Systemtic Name: N-[(2S,3R)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]cycloheptanecarboxamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]cycloheptanecarboxamide CAS Name: N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]cycloheptanecarboxamide IUPAC Name: N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]cycloheptanecarboxamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]cycloheptanecarboxamide Formula: C29H42N2O5S MolecularWeight: 530.71918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C2CCCCCC2)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C2CCCCCC2)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C29H42N2O5S/c1-22(2)20-31(37(34,35)26-17-15-25(36-3)16-18-26)21-28(32)27(19-23-11-7-6-8-12-23)30-29(33)24-13-9-4-5-10-14-24/h6-8,11-12,15-18,22,24,27-28,32H,4-5,9-10,13-14,19-21H2,1-3H3,(H,30,33)/t27-,28+/m0/s1