4-(azepan-1-ylsulfonyl)-N-(5-chloranyl-2-methyl-phenyl)-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(5-chloranyl-2-methyl-phenyl)-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-methyl-phenyl)-1-methyl-pyrrole-2-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-(5-chloro-2-methylphenyl)-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-methyl-phenyl)-1-methyl-pyrrole-2-carboxamide Formula: C19H24ClN3O3S MolecularWeight: 409.93016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O3S/c1-14-7-8-15(20)11-17(14)21-19(24)18-12-16(13-22(18)2)27(25,26)23-9-5-3-4-6-10-23/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,21,24)