N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[1-(p-tolylsulfonyl)-4-piperidyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-(1-tosyl-4-piperidyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C21H26N2O3S2/c1-15-6-8-18(9-7-15)28(25,26)23-12-10-17(11-13-23)22-21(24)20-14-16-4-2-3-5-19(16)27-20/h6-9,14,17H,2-5,10-13H2,1H3,(H,22,24)