2-chloranyl-N-(3-phenylsulfanylpropyl)-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(3-phenylsulfanylpropyl)-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(3-phenylsulfanylpropyl)-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-[3-(phenylthio)propyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(3-phenylsulfanylpropyl)-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[3-(phenylthio)propyl]-5-piperidinosulfonyl-benzamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN2O3S2/c22-20-11-10-18(29(26,27)24-13-5-2-6-14-24)16-19(20)21(25)23-12-7-15-28-17-8-3-1-4-9-17/h1,3-4,8-11,16H,2,5-7,12-15H2,(H,23,25)