N-(3-methylsulfanylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(3-methylsulfanylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(3-methylsulfanylphenyl)-5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzamide CAS Name: N-[3-(methylthio)phenyl]-5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-methylsulfanylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(methylthio)phenyl]-5-piperidinosulfonyl-2-pyrrolidino-benzamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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