(3S)-N-(2-azanyl-2-oxidanylidene-ethyl)-1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-azanyl-2-oxidanylidene-ethyl)-1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2-amino-2-oxo-ethyl)-1-(5-chloro-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2-amino-2-oxoethyl)-1-(5-chloro-2-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-amino-2-oxoethyl)-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2-amino-2-keto-ethyl)-1-(5-chloro-2-methoxy-phenyl)sulfonyl-nipecotamide Formula: C15H20ClN3O5S MolecularWeight: 389.8544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCC(C2)C(=O)NCC(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC(=O)N

InChI

InChI=1S/C15H20ClN3O5S/c1-24-12-5-4-11(16)7-13(12)25(22,23)19-6-2-3-10(9-19)15(21)18-8-14(17)20/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,17,20)(H,18,21)/t10-/m0/s1