(3S)-N-[(4-tert-butylphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(4-tert-butylphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(4-tert-butylphenyl)methyl]-N-methyl-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(4-tert-butylphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(4-tert-butylphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-tert-butylbenzyl)-N-methyl-1-(2-thienylsulfonyl)nipecotamide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H30N2O3S2/c1-22(2,3)19-11-9-17(10-12-19)15-23(4)21(25)18-7-5-13-24(16-18)29(26,27)20-8-6-14-28-20/h6,8-12,14,18H,5,7,13,15-16H2,1-4H3/t18-/m0/s1