(3S)-N-(4-butylphenyl)-1-ethylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-butylphenyl)-1-ethylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-butylphenyl)-1-ethylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-butylphenyl)-1-ethylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-butylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-butylphenyl)-1-esyl-nipecotamide Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)CC

InChI

InChI=1S/C18H28N2O3S/c1-3-5-7-15-9-11-17(12-10-15)19-18(21)16-8-6-13-20(14-16)24(22,23)4-2/h9-12,16H,3-8,13-14H2,1-2H3,(H,19,21)/t16-/m0/s1