4-methyl-3-(phenylsulfonyl)-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylcarbonyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-methyl-3-(phenylsulfonyl)-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylcarbonyl)-1H-pyrrole-2-carboxamide Openeye Name: 3-(benzenesulfonyl)-4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-1H-pyrrole-2-carboxamide CAS Name: 3-(benzenesulfonyl)-4-methyl-5-[oxo(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-1H-pyrrole-2-carboxamide IUPAC Name: 3-(benzenesulfonyl)-4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-1H-pyrrole-2-carboxamide Traditional Name: 3-besyl-4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-1H-pyrrole-2-carboxamide Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1S(=O)(=O)C2=CC=CC=C2)C(=O)N)C(=O)N3CCCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(NC(=C1S(=O)(=O)C2=CC=CC=C2)C(=O)N)C(=O)N3CCCC4=CC=CC=C4C3

InChI

InChI=1S/C23H23N3O4S/c1-15-19(23(28)26-13-7-10-16-8-5-6-9-17(16)14-26)25-20(22(24)27)21(15)31(29,30)18-11-3-2-4-12-18/h2-6,8-9,11-12,25H,7,10,13-14H2,1H3,(H2,24,27)