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

Systemtic Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)benzamide Openeye Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)benzamide CAS Name: 4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]-N-[3-(1-pyrrolidinyl)propyl]benzamide IUPAC Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylpropyl)benzamide Traditional Name: 4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]-N-(3-pyrrolidinopropyl)benzamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S2/c1-3-26(31(28,29)22-13-11-21(30-2)12-14-22)20-9-7-19(8-10-20)23(27)24-15-6-18-25-16-4-5-17-25/h7-14H,3-6,15-18H2,1-2H3,(H,24,27)