methyl 1-methyl-5-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)sulfonyl]pyrrole-2-carboxylate

Systemtic Name: methyl 1-methyl-5-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)sulfonyl]pyrrole-2-carboxylate Openeye Name: methyl 1-methyl-5-[[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]sulfonyl]pyrrole-2-carboxylate CAS Name: 1-methyl-5-[[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-5-[[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]sulfonyl]pyrrole-2-carboxylate Traditional Name: 1-methyl-5-[[4-(2-thenoyl)-1,4-diazepan-1-yl]sulfonyl]pyrrole-2-carboxylic acid methyl ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CN1C(=CC=C1S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C17H21N3O5S2/c1-18-13(17(22)25-2)6-7-15(18)27(23,24)20-9-4-8-19(10-11-20)16(21)14-5-3-12-26-14/h3,5-7,12H,4,8-11H2,1-2H3