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

Systemtic Name: 2-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-(4-tosyl-1,4-diazepan-1-yl)acetyl]amino]thiophene-3-carboxamide Formula: C19H24N4O4S2 MolecularWeight: 436.54826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C19H24N4O4S2/c1-14-3-5-15(6-4-14)29(26,27)23-9-2-8-22(10-11-23)13-17(24)21-19-16(18(20)25)7-12-28-19/h3-7,12H,2,8-11,13H2,1H3,(H2,20,25)(H,21,24)