N-[1-(4-butan-2-ylphenyl)-2-methyl-propyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)-2-methyl-propyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-methyl-1-(4-sec-butylphenyl)propyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: 1-mesyl-N-[2-methyl-1-(4-sec-butylphenyl)propyl]nipecotamide Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C(C)C)NC(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C(C)C)NC(=O)C2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C21H34N2O3S/c1-6-16(4)17-9-11-18(12-10-17)20(15(2)3)22-21(24)19-8-7-13-23(14-19)27(5,25)26/h9-12,15-16,19-20H,6-8,13-14H2,1-5H3,(H,22,24)