(3S)-1-(5-chloranyl-2-ethoxy-phenyl)sulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-chloranyl-2-ethoxy-phenyl)sulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(5-chloro-2-ethoxy-phenyl)sulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(1S)-1-phenylethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(5-chloro-2-ethoxy-phenyl)sulfonyl-N-[(1S)-1-phenylethyl]nipecotamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4S/c1-3-29-20-12-11-19(23)14-21(20)30(27,28)25-13-7-10-18(15-25)22(26)24-16(2)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,16,18H,3,7,10,13,15H2,1-2H3,(H,24,26)/t16-,18-/m0/s1