4-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-1-methyl-pyrrole-2-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(2-chlorophenyl)methyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-1-methylpyrrole-2-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-chlorobenzyl)-1-methyl-pyrrole-2-carboxamide Formula: C19H24ClN3O3S MolecularWeight: 409.93016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H24ClN3O3S/c1-22-14-16(27(25,26)23-10-6-2-3-7-11-23)12-18(22)19(24)21-13-15-8-4-5-9-17(15)20/h4-5,8-9,12,14H,2-3,6-7,10-11,13H2,1H3,(H,21,24)