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

Systemtic Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Openeye Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide CAS Name: 4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]benzamide IUPAC Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Traditional Name: 4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]-N-(4-pyrrolidinobenzyl)benzamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(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/C27H31N3O3S2/c1-3-30(35(32,33)26-16-14-25(34-2)15-17-26)24-12-8-22(9-13-24)27(31)28-20-21-6-10-23(11-7-21)29-18-4-5-19-29/h6-17H,3-5,18-20H2,1-2H3,(H,28,31)