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

Systemtic Name: N-(2-methoxyphenyl)-N-methyl-4-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-N-methyl-4-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-N-methyl-4-[[(2S)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-N-methyl-4-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-N-methyl-4-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Formula: C26H31N3O4S MolecularWeight: 481.60704

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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=C4OC

Isomeric SMILES

CN1C=CC=C1[C@@H]2CCCCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4OC

InChI

InChI=1S/C26H31N3O4S/c1-27-18-9-12-22(27)23-10-5-4-8-19-29(23)26(30)20-14-16-21(17-15-20)34(31,32)28(2)24-11-6-7-13-25(24)33-3/h6-7,9,11-18,23H,4-5,8,10,19H2,1-3H3/t23-/m0/s1