2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonyl-anilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-(4-methyl-N-[4-(methylthio)phenyl]sulfonylanilino)-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-(4-methyl-N-[4-(methylthio)phenyl]sulfonyl-anilino)-N-(3-pyrrolidinopropyl)acetamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NCCCN2CCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NCCCN2CCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H31N3O3S2/c1-19-6-8-20(9-7-19)26(31(28,29)22-12-10-21(30-2)11-13-22)18-23(27)24-14-5-17-25-15-3-4-16-25/h6-13H,3-5,14-18H2,1-2H3,(H,24,27)