(3S)-N-tert-butyl-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-tert-butyl-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-tert-butyl-1-(3-chloro-4-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-tert-butyl-1-(3-chloro-4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-tert-butyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-tert-butyl-1-(3-chloro-4-methoxy-phenyl)sulfonyl-nipecotamide Formula: C17H25ClN2O4S MolecularWeight: 388.9094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CC(C)(C)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C17H25ClN2O4S/c1-17(2,3)19-16(21)12-6-5-9-20(11-12)25(22,23)13-7-8-15(24-4)14(18)10-13/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,19,21)/t12-/m0/s1