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

Systemtic Name: (3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-pyridin-3-yl-piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(3-pyridyl)piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-pyridinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(3-pyridyl)nipecotamide Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CN=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CN=CC=C3)Cl

InChI

InChI=1S/C18H20ClN3O4S/c1-26-17-7-6-15(10-16(17)19)27(24,25)22-9-3-4-13(12-22)18(23)21-14-5-2-8-20-11-14/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,21,23)/t13-/m0/s1