4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(2-pyrrolidin-1-ylcarbonylphenyl)benzamide

Systemtic Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(2-pyrrolidin-1-ylcarbonylphenyl)benzamide Openeye Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide CAS Name: 4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]-N-[2-[oxo(1-pyrrolidinyl)methyl]phenyl]benzamide IUPAC Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide Traditional Name: 4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide Formula: C27H29N3O4S2 MolecularWeight: 523.66686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C27H29N3O4S2/c1-3-30(36(33,34)23-16-14-22(35-2)15-17-23)21-12-10-20(11-13-21)26(31)28-25-9-5-4-8-24(25)27(32)29-18-6-7-19-29/h4-5,8-17H,3,6-7,18-19H2,1-2H3,(H,28,31)