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

Systemtic Name: 4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Openeye Name: 4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide CAS Name: 4-[methyl-[4-(methylthio)phenyl]sulfonylamino]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]benzamide IUPAC Name: 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Traditional Name: 4-[methyl-[4-(methylthio)phenyl]sulfonyl-amino]-N-(4-pyrrolidinobenzyl)benzamide Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C26H29N3O3S2/c1-28(34(31,32)25-15-13-24(33-2)14-16-25)22-11-7-21(8-12-22)26(30)27-19-20-5-9-23(10-6-20)29-17-3-4-18-29/h5-16H,3-4,17-19H2,1-2H3,(H,27,30)