(3S)-N-(4-aminocarbonylphenyl)-1-(5-chloranyl-2-ethoxy-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-aminocarbonylphenyl)-1-(5-chloranyl-2-ethoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-carbamoylphenyl)-1-(5-chloro-2-ethoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-carbamoylphenyl)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-carbamoylphenyl)-1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-carbamoylphenyl)-1-(5-chloro-2-ethoxy-phenyl)sulfonyl-nipecotamide Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H24ClN3O5S/c1-2-30-18-10-7-16(22)12-19(18)31(28,29)25-11-3-4-15(13-25)21(27)24-17-8-5-14(6-9-17)20(23)26/h5-10,12,15H,2-4,11,13H2,1H3,(H2,23,26)(H,24,27)/t15-/m0/s1