(3S)-1-(2-nitrophenyl)sulfonyl-N-(4-oxidanylcyclohexyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-nitrophenyl)sulfonyl-N-(4-oxidanylcyclohexyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(4-hydroxycyclohexyl)-1-(2-nitrophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-hydroxycyclohexyl)-1-(2-nitrophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-hydroxycyclohexyl)-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-hydroxycyclohexyl)-1-(2-nitrophenyl)sulfonyl-nipecotamide Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3CCC(CC3)O

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3CCC(CC3)O

InChI

InChI=1S/C18H25N3O6S/c22-15-9-7-14(8-10-15)19-18(23)13-4-3-11-20(12-13)28(26,27)17-6-2-1-5-16(17)21(24)25/h1-2,5-6,13-15,22H,3-4,7-12H2,(H,19,23)/t13-,14?,15?/m0/s1