N-(3-chloranyl-4-methoxy-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3)Cl

InChI

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