N-[(1R,2R)-2-(azepan-1-yl)-1,2-diphenyl-ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R,2R)-2-(azepan-1-yl)-1,2-diphenyl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,2R)-2-(azepan-1-yl)-1,2-diphenyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R,2R)-2-(1-azepanyl)-1,2-diphenylethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R,2R)-2-(azepan-1-yl)-1,2-diphenylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,2R)-2-(azepan-1-yl)-1,2-diphenyl-ethyl]-4-methyl-benzenesulfonamide Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(C3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C27H32N2O2S/c1-22-16-18-25(19-17-22)32(30,31)28-26(23-12-6-4-7-13-23)27(24-14-8-5-9-15-24)29-20-10-2-3-11-21-29/h4-9,12-19,26-28H,2-3,10-11,20-21H2,1H3/t26-,27-/m1/s1