4-chloranyl-N-methyl-N-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-methyl-N-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: 4-chloro-N-methyl-N-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: 4-chloro-N-methyl-N-[2-[(2S)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: 4-chloro-N-methyl-N-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: 4-chloro-N-[2-keto-2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethyl]-N-methyl-benzenesulfonamide Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=CC=C1[C@@H]2CCCCCN2C(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H26ClN3O3S/c1-22-13-6-8-18(22)19-7-4-3-5-14-24(19)20(25)15-23(2)28(26,27)17-11-9-16(21)10-12-17/h6,8-13,19H,3-5,7,14-15H2,1-2H3/t19-/m0/s1