N-(4-methylsulfanylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(4-methylsulfanylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(4-methylsulfanylphenyl)-5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(methylthio)phenyl]-5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4-methylsulfanylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(methylthio)phenyl]-5-piperidinosulfonyl-2-pyrrolidino-benzamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4

InChI

InChI=1S/C23H29N3O3S2/c1-30-19-9-7-18(8-10-19)24-23(27)21-17-20(11-12-22(21)25-13-5-6-14-25)31(28,29)26-15-3-2-4-16-26/h7-12,17H,2-6,13-16H2,1H3,(H,24,27)