N-[(4-butan-2-ylphenyl)-thiophen-2-yl-methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-butan-2-ylphenyl)-thiophen-2-yl-methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-pyridylsulfonyl)-N-[(4-sec-butylphenyl)-(2-thienyl)methyl]piperidine-4-carboxamide CAS Name: N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: 1-(3-pyridylsulfonyl)-N-[(4-sec-butylphenyl)-(2-thienyl)methyl]isonipecotamide Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H31N3O3S2/c1-3-19(2)20-8-10-21(11-9-20)25(24-7-5-17-33-24)28-26(30)22-12-15-29(16-13-22)34(31,32)23-6-4-14-27-18-23/h4-11,14,17-19,22,25H,3,12-13,15-16H2,1-2H3,(H,28,30)