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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-1-methyl-pyrrole-2-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2,4-dimethoxyphenyl)-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-1-methyl-pyrrole-2-carboxamide Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=C(C=C(C=C2)OC)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=C(C=C(C=C2)OC)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O5S/c1-22-14-16(29(25,26)23-10-6-4-5-7-11-23)13-18(22)20(24)21-17-9-8-15(27-2)12-19(17)28-3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,21,24)