N-cyclopropyl-4-methyl-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-cyclopropyl-4-methyl-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide CAS Name: N-cyclopropyl-4-methyl-3-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-4-methyl-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Traditional Name: N-cyclopropyl-4-methyl-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CCCCCC3C4=CC=CN4C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CCCCCC3C4=CC=CN4C

InChI

InChI=1S/C22H29N3O3S/c1-16-9-12-18(29(27,28)23-17-10-11-17)15-19(16)22(26)25-14-5-3-4-7-21(25)20-8-6-13-24(20)2/h6,8-9,12-13,15,17,21,23H,3-5,7,10-11,14H2,1-2H3