N-(2-methoxyphenyl)-N-methyl-4-[5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-N-methyl-4-[5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-N-methyl-4-[5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-N-methyl-4-[[5-methyl-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-N-methyl-4-[5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-N-methyl-4-[5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC)C4=CC=CN4C

Isomeric SMILES

CC1CCC(N(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC)C4=CC=CN4C

InChI

InChI=1S/C27H33N3O4S/c1-20-11-16-24(23-9-7-18-28(23)2)30(19-17-20)27(31)21-12-14-22(15-13-21)35(32,33)29(3)25-8-5-6-10-26(25)34-4/h5-10,12-15,18,20,24H,11,16-17,19H2,1-4H3