N-methyl-4-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-N-phenyl-benzenesulfonamide

Systemtic Name: N-methyl-4-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-N-phenyl-benzenesulfonamide Openeye Name: N-methyl-4-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-N-phenyl-benzenesulfonamide CAS Name: N-methyl-4-[[(2S)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]-N-phenylbenzenesulfonamide IUPAC Name: N-methyl-4-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-N-phenylbenzenesulfonamide Traditional Name: N-methyl-4-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-N-phenyl-benzenesulfonamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1[C@@H]2CCCCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3S/c1-26-18-9-13-23(26)24-12-7-4-8-19-28(24)25(29)20-14-16-22(17-15-20)32(30,31)27(2)21-10-5-3-6-11-21/h3,5-6,9-11,13-18,24H,4,7-8,12,19H2,1-2H3/t24-/m0/s1