(3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-N-(2-furylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(2-furanylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-N-(2-furfuryl)nipecotamide Formula: C19H23ClN2O5S MolecularWeight: 426.91432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CO3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CC=CO3)Cl

InChI

InChI=1S/C19H23ClN2O5S/c1-2-26-18-8-7-16(11-17(18)20)28(24,25)22-9-3-5-14(13-22)19(23)21-12-15-6-4-10-27-15/h4,6-8,10-11,14H,2-3,5,9,12-13H2,1H3,(H,21,23)/t14-/m0/s1