(3S)-N-(3-chloranyl-2-morpholin-4-yl-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3-chloranyl-2-morpholin-4-yl-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(3-chloro-2-morpholino-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[3-chloro-2-(4-morpholinyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-chloro-2-morpholin-4-ylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(3-chloro-2-morpholino-phenyl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C23H28ClN3O5S MolecularWeight: 494.00352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C(=CC=C3)Cl)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=C(C(=CC=C3)Cl)N4CCOCC4

InChI

InChI=1S/C23H28ClN3O5S/c1-31-18-7-9-19(10-8-18)33(29,30)27-11-3-4-17(16-27)23(28)25-21-6-2-5-20(24)22(21)26-12-14-32-15-13-26/h2,5-10,17H,3-4,11-16H2,1H3,(H,25,28)/t17-/m0/s1