N-(3-chloranyl-2,6-diethyl-phenyl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-1-(4-cyanophenyl)sulfonyl-isonipecotamide Formula: C23H26ClN3O3S MolecularWeight: 459.98884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26ClN3O3S/c1-3-17-7-10-21(24)20(4-2)22(17)26-23(28)18-11-13-27(14-12-18)31(29,30)19-8-5-16(15-25)6-9-19/h5-10,18H,3-4,11-14H2,1-2H3,(H,26,28)