4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)benzamide

Systemtic Name: 4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)benzamide Openeye Name: 4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)benzamide CAS Name: 4-[methyl-[4-(methylthio)phenyl]sulfonylamino]-N-[3-(1-pyrrolidinyl)propyl]benzamide IUPAC Name: 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylpropyl)benzamide Traditional Name: 4-[methyl-[4-(methylthio)phenyl]sulfonyl-amino]-N-(3-pyrrolidinopropyl)benzamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)NCCCN2CCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)NCCCN2CCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H29N3O3S2/c1-24(30(27,28)21-12-10-20(29-2)11-13-21)19-8-6-18(7-9-19)22(26)23-14-5-17-25-15-3-4-16-25/h6-13H,3-5,14-17H2,1-2H3,(H,23,26)