N-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C19H24N4O4S2 MolecularWeight: 436.54826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H24N4O4S2/c1-22-10-6-7-16(22)19(25)21-17(24)14-28-18-9-8-15(13-20-18)29(26,27)23-11-4-2-3-5-12-23/h6-10,13H,2-5,11-12,14H2,1H3,(H,21,24,25)