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

Systemtic Name: N-(1-benzothiophen-5-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(benzothiophen-5-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(1-benzothiophen-5-yl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(1-benzothiophen-5-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(benzothiophen-5-yl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)SC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)SC=C4

InChI

InChI=1S/C21H22N2O4S2/c1-27-18-5-7-19(8-6-18)29(25,26)23-11-2-3-16(14-23)21(24)22-17-4-9-20-15(13-17)10-12-28-20/h4-10,12-13,16H,2-3,11,14H2,1H3,(H,22,24)