N-(4-butylphenyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-butylphenyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-butylphenyl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-butylphenyl)-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(4-butylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-butylphenyl)-1-(3-pyridylsulfonyl)isonipecotamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-2-3-5-17-7-9-19(10-8-17)23-21(25)18-11-14-24(15-12-18)28(26,27)20-6-4-13-22-16-20/h4,6-10,13,16,18H,2-3,5,11-12,14-15H2,1H3,(H,23,25)