N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N,2-dimethyl-N-[[4-(methylthio)phenyl]methyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N,2-dimethyl-N-[4-(methylthio)benzyl]-5-pyrrolidinosulfonyl-benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N(C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H26N2O3S2/c1-16-6-11-19(28(25,26)23-12-4-5-13-23)14-20(16)21(24)22(2)15-17-7-9-18(27-3)10-8-17/h6-11,14H,4-5,12-13,15H2,1-3H3