N-(2-piperidin-1-ylethyl)-4-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)-N-(1-sulfanylpropan-2-yl)benzenesulfonamide

Systemtic Name: N-(2-piperidin-1-ylethyl)-4-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)-N-(1-sulfanylpropan-2-yl)benzenesulfonamide Openeye Name: N-(1-methyl-2-sulfanyl-ethyl)-N-[2-(1-piperidyl)ethyl]-4-(6-thioxocyclohexa-1,3-dien-1-yl)benzenesulfonamide CAS Name: N-(1-mercaptopropan-2-yl)-N-[2-(1-piperidinyl)ethyl]-4-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)benzenesulfonamide IUPAC Name: N-(2-piperidin-1-ylethyl)-4-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)-N-(1-sulfanylpropan-2-yl)benzenesulfonamide Traditional Name: N-(2-mercapto-1-methyl-ethyl)-N-(2-piperidinoethyl)-4-(6-thioxocyclohexa-1,3-dien-1-yl)benzenesulfonamide Formula: C22H30N2O2S3 MolecularWeight: 450.6808

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)N(CCN1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CCC3=S

Isomeric SMILES

CC(CS)N(CCN1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CCC3=S

InChI

InChI=1S/C22H30N2O2S3/c1-18(17-27)24(16-15-23-13-5-2-6-14-23)29(25,26)20-11-9-19(10-12-20)21-7-3-4-8-22(21)28/h3-4,7,9-12,18,27H,2,5-6,8,13-17H2,1H3