N-(1-benzothiophen-5-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1-benzothiophen-5-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(benzothiophen-5-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(1-benzothiophen-5-yl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-benzothiophen-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(benzothiophen-5-yl)-1-tosyl-isonipecotamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)SC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)SC=C4

InChI

InChI=1S/C21H22N2O3S2/c1-15-2-5-19(6-3-15)28(25,26)23-11-8-16(9-12-23)21(24)22-18-4-7-20-17(14-18)10-13-27-20/h2-7,10,13-14,16H,8-9,11-12H2,1H3,(H,22,24)