N-[(3R,4R)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-azepan-3-yl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[(3R,4R)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-azepan-3-yl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(3R,4R)-4-hydroxy-1-(p-tolylsulfonyl)azepan-3-yl]benzamide CAS Name: N-[(3R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonyl-3-azepanyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(3R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonylazepan-3-yl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(3R,4R)-4-hydroxy-1-tosyl-azepan-3-yl]benzamide Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C(C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]([C@@H](C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C27H30N2O5S/c1-20-9-15-24(16-10-20)35(32,33)29-17-5-8-26(30)25(18-29)28-27(31)22-11-13-23(14-12-22)34-19-21-6-3-2-4-7-21/h2-4,6-7,9-16,25-26,30H,5,8,17-19H2,1H3,(H,28,31)/t25-,26-/m1/s1