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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-1-methyl-pyrrole-2-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(2-methoxyphenyl)methyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-1-methyl-N-o-anisyl-pyrrole-2-carboxamide Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCC2=CC=CC=C2OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NCC2=CC=CC=C2OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O4S/c1-22-15-17(28(25,26)23-11-7-3-4-8-12-23)13-18(22)20(24)21-14-16-9-5-6-10-19(16)27-2/h5-6,9-10,13,15H,3-4,7-8,11-12,14H2,1-2H3,(H,21,24)