N,4,5-trimethyl-2-[3-(phenylmethyl)sulfonylpropanoylamino]thiophene-3-carboxamide

Systemtic Name: N,4,5-trimethyl-2-[3-(phenylmethyl)sulfonylpropanoylamino]thiophene-3-carboxamide Openeye Name: 2-(3-benzylsulfonylpropanoylamino)-N,4,5-trimethyl-thiophene-3-carboxamide CAS Name: N,4,5-trimethyl-2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-(3-benzylsulfonylpropanoylamino)-N,4,5-trimethylthiophene-3-carboxamide Traditional Name: 2-(3-benzylsulfonylpropanoylamino)-N,4,5-trimethyl-thiophene-3-carboxamide Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NC)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NC)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H22N2O4S2/c1-12-13(2)25-18(16(12)17(22)19-3)20-15(21)9-10-26(23,24)11-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,19,22)(H,20,21)