(3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-[(1S)-1-methylbutyl]piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(2S)-pentan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-[(1S)-1-methylbutyl]nipecotamide Formula: C18H27ClN2O4S MolecularWeight: 402.93598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O4S/c1-4-6-13(2)20-18(22)14-7-5-10-21(12-14)26(23,24)15-8-9-17(25-3)16(19)11-15/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H,20,22)/t13-,14-/m0/s1