(3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[3-(1-imidazolyl)propyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)nipecotamide Formula: C20H27ClN4O4S MolecularWeight: 454.97078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCN3C=CN=C3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCCCN3C=CN=C3)Cl

InChI

InChI=1S/C20H27ClN4O4S/c1-2-29-19-7-6-17(13-18(19)21)30(27,28)25-11-3-5-16(14-25)20(26)23-8-4-10-24-12-9-22-15-24/h6-7,9,12-13,15-16H,2-5,8,10-11,14H2,1H3,(H,23,26)/t16-/m0/s1