1-[(3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[(3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[(3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[(3S)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3S)-1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[(3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonylnipecotoyl]isonipecotamide Formula: C20H28ClN3O5S MolecularWeight: 457.97142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC(CC3)C(=O)N)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CCC(CC3)C(=O)N)Cl

InChI

InChI=1S/C20H28ClN3O5S/c1-2-29-18-6-5-16(12-17(18)21)30(27,28)24-9-3-4-15(13-24)20(26)23-10-7-14(8-11-23)19(22)25/h5-6,12,14-15H,2-4,7-11,13H2,1H3,(H2,22,25)/t15-/m0/s1