2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-(4-mesyl-1,4-diazepan-1-yl)acetyl]amino]thiophene-3-carboxamide Formula: C13H20N4O4S2 MolecularWeight: 360.4523

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C13H20N4O4S2/c1-23(20,21)17-5-2-4-16(6-7-17)9-11(18)15-13-10(12(14)19)3-8-22-13/h3,8H,2,4-7,9H2,1H3,(H2,14,19)(H,15,18)