N-(5-chloranyl-2-methoxy-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2O4S/c1-29-21-12-11-19(23)15-20(21)24-22(26)18-10-5-13-25(16-18)30(27,28)14-6-9-17-7-3-2-4-8-17/h2-4,7-8,11-12,15,18H,5-6,9-10,13-14,16H2,1H3,(H,24,26)