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

Systemtic Name: N-[(4-propylphenyl)-thiophen-2-yl-methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-propylphenyl)-(2-thienyl)methyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(4-propylphenyl)-thiophen-2-ylmethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[(4-propylphenyl)-thiophen-2-ylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(4-propylphenyl)-(2-thienyl)methyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H29N3O3S2/c1-2-5-19-8-10-20(11-9-19)24(23-7-4-17-32-23)27-25(29)21-12-15-28(16-13-21)33(30,31)22-6-3-14-26-18-22/h3-4,6-11,14,17-18,21,24H,2,5,12-13,15-16H2,1H3,(H,27,29)