N-(3-methoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide Openeye Name: N-(3-methoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-acetamide CAS Name: N-(3-methoxyphenyl)-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylacetamide Traditional Name: N-(3-methoxyphenyl)-2-[(4-pyrrolidinosulfonylphenyl)thio]acetamide Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H22N2O4S2/c1-25-16-6-4-5-15(13-16)20-19(22)14-26-17-7-9-18(10-8-17)27(23,24)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)