(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(4-oxidanylcyclohexyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(4-oxidanylcyclohexyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide CAS Name: (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(4-hydroxycyclohexyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(4-hydroxycyclohexyl)nipecotamide Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCC(CC3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3CCC(CC3)O

InChI

InChI=1S/C20H30N2O4S/c1-14-5-6-15(2)19(12-14)27(25,26)22-11-3-4-16(13-22)20(24)21-17-7-9-18(23)10-8-17/h5-6,12,16-18,23H,3-4,7-11,13H2,1-2H3,(H,21,24)/t16-,17?,18?/m0/s1