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

Systemtic Name: N-[(2S)-1-[2-(4-methoxyphenyl)azepan-1-yl]-1-oxidanylidene-propan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-2-[2-(4-methoxyphenyl)azepan-1-yl]-1-methyl-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-1-[2-(4-methoxyphenyl)-1-azepanyl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-1-[2-(4-methoxyphenyl)azepan-1-yl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-2-keto-2-[2-(4-methoxyphenyl)azepan-1-yl]-1-methyl-ethyl]-4-methyl-benzenesulfonamide Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H30N2O4S/c1-17-8-14-21(15-9-17)30(27,28)24-18(2)23(26)25-16-6-4-5-7-22(25)19-10-12-20(29-3)13-11-19/h8-15,18,22,24H,4-7,16H2,1-3H3/t18-,22?/m0/s1