N-[2-(4-methylphenyl)sulfanylethyl]-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide Openeye Name: N-[2-(p-tolylsulfanyl)ethyl]-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide Traditional Name: N-[2-(p-tolylthio)ethyl]-3-pyrrolidinosulfonyl-thiophene-2-carboxamide Formula: C18H22N2O3S3 MolecularWeight: 410.57388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H22N2O3S3/c1-14-4-6-15(7-5-14)24-13-9-19-18(21)17-16(8-12-25-17)26(22,23)20-10-2-3-11-20/h4-8,12H,2-3,9-11,13H2,1H3,(H,19,21)