4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-1-methyl-pyrrole-2-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(3-methoxyphenyl)methyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-m-anisyl-1-methyl-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=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NCC2=CC(=CC=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O4S/c1-22-15-18(28(25,26)23-10-5-3-4-6-11-23)13-19(22)20(24)21-14-16-8-7-9-17(12-16)27-2/h7-9,12-13,15H,3-6,10-11,14H2,1-2H3,(H,21,24)