2-(4-chlorophenyl)sulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]propanamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]propanamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-(4-piperidinosulfonylbenzyl)propionamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S2/c1-16(28-19-9-7-18(22)8-10-19)21(25)23-15-17-5-11-20(12-6-17)29(26,27)24-13-3-2-4-14-24/h5-12,16H,2-4,13-15H2,1H3,(H,23,25)