N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-methyl-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-p-anisyl-1,4-diazepan-1-yl)ethyl]-4-methyl-benzenesulfonamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H31N3O4S/c1-18-5-11-22(12-6-18)31(28,29)24-19(2)23(27)26-14-4-13-25(15-16-26)17-20-7-9-21(30-3)10-8-20/h5-12,19,24H,4,13-17H2,1-3H3/t19-/m0/s1