4-(azepan-1-ylsulfonyl)-N-(2,3-dimethylphenyl)-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2,3-dimethylphenyl)-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2,3-dimethylphenyl)-1-methyl-pyrrole-2-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2,3-dimethylphenyl)-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2,3-dimethylphenyl)-1-methylpyrrole-2-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2,3-dimethylphenyl)-1-methyl-pyrrole-2-carboxamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H27N3O3S/c1-15-9-8-10-18(16(15)2)21-20(24)19-13-17(14-22(19)3)27(25,26)23-11-6-4-5-7-12-23/h8-10,13-14H,4-7,11-12H2,1-3H3,(H,21,24)