3-chloranyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[1-(p-tolylsulfonyl)-4-piperidyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(1-tosyl-4-piperidyl)benzothiophene-2-carboxamide Formula: C21H21ClN2O3S2 MolecularWeight: 448.98604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H21ClN2O3S2/c1-14-6-8-16(9-7-14)29(26,27)24-12-10-15(11-13-24)23-21(25)20-19(22)17-4-2-3-5-18(17)28-20/h2-9,15H,10-13H2,1H3,(H,23,25)