N-(1-benzothiophen-5-yl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(1-benzothiophen-5-yl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(benzothiophen-5-yl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(1-benzothiophen-5-yl)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(1-benzothiophen-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(benzothiophen-5-yl)-1-tosyl-nipecotamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)SC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)SC=C4

InChI

InChI=1S/C21H22N2O3S2/c1-15-4-7-19(8-5-15)28(25,26)23-11-2-3-17(14-23)21(24)22-18-6-9-20-16(13-18)10-12-27-20/h4-10,12-13,17H,2-3,11,14H2,1H3,(H,22,24)