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

Systemtic Name: (3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-pentyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-pentyl-piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pentyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide Traditional Name: (3S)-N-amyl-1-(3-chloro-4-methoxy-phenyl)sulfonyl-nipecotamide Formula: C18H27ClN2O4S MolecularWeight: 402.93598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O4S/c1-3-4-5-10-20-18(22)14-7-6-11-21(13-14)26(23,24)15-8-9-17(25-2)16(19)12-15/h8-9,12,14H,3-7,10-11,13H2,1-2H3,(H,20,22)/t14-/m0/s1