N-(4-butylphenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-butylphenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-butylphenyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(4-butylphenyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-butylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4-butylphenyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N2O3S2/c1-2-3-6-16-9-11-18(12-10-16)21-20(23)17-7-4-13-22(15-17)27(24,25)19-8-5-14-26-19/h5,8-12,14,17H,2-4,6-7,13,15H2,1H3,(H,21,23)