N-[(4-butylphenyl)-thiophen-2-yl-methyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-butylphenyl)-thiophen-2-yl-methyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-butylphenyl)-(2-thienyl)methyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-butylphenyl)-thiophen-2-ylmethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-butylphenyl)-thiophen-2-ylmethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(4-butylphenyl)-(2-thienyl)methyl]-1-mesyl-isonipecotamide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H30N2O3S2/c1-3-4-6-17-8-10-18(11-9-17)21(20-7-5-16-28-20)23-22(25)19-12-14-24(15-13-19)29(2,26)27/h5,7-11,16,19,21H,3-4,6,12-15H2,1-2H3,(H,23,25)