N-[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-N-methyl-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-N-methyl-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide Openeye Name: N-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-N-methyl-4-(4-methylsulfanylphenyl)-4-oxo-butanamide CAS Name: N-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-pyrrolidinyl]-N-methyl-4-[4-(methylthio)phenyl]-4-oxobutanamide IUPAC Name: N-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-N-methyl-4-(4-methylsulfanylphenyl)-4-oxobutanamide Traditional Name: N-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-4-keto-N-methyl-4-[4-(methylthio)phenyl]butyramide Formula: C24H27ClN2O4S MolecularWeight: 475.00018

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(C1)CC2=CC3=C(C=C2Cl)OCO3)C(=O)CCC(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CN(C1CCN(C1)CC2=CC3=C(C=C2Cl)OCO3)C(=O)CCC(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C24H27ClN2O4S/c1-26(24(29)8-7-21(28)16-3-5-19(32-2)6-4-16)18-9-10-27(14-18)13-17-11-22-23(12-20(17)25)31-15-30-22/h3-6,11-12,18H,7-10,13-15H2,1-2H3