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

Systemtic Name: 4-methoxy-N-[(3R,4R)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-azepan-3-yl]benzamide Openeye Name: N-[(3R,4R)-4-hydroxy-1-(p-tolylsulfonyl)azepan-3-yl]-4-methoxy-benzamide CAS Name: N-[(3R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonyl-3-azepanyl]-4-methoxybenzamide IUPAC Name: N-[(3R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonylazepan-3-yl]-4-methoxybenzamide Traditional Name: N-[(3R,4R)-4-hydroxy-1-tosyl-azepan-3-yl]-4-methoxy-benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15-5-11-18(12-6-15)29(26,27)23-13-3-4-20(24)19(14-23)22-21(25)16-7-9-17(28-2)10-8-16/h5-12,19-20,24H,3-4,13-14H2,1-2H3,(H,22,25)/t19-,20-/m1/s1