N-(4-butylphenyl)-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide

Systemtic Name: N-(4-butylphenyl)-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide Openeye Name: N-(4-butylphenyl)-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide CAS Name: N-(4-butylphenyl)-1-[(2,4-dichlorophenyl)methylsulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(4-butylphenyl)-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide Traditional Name: N-(4-butylphenyl)-1-(2,4-dichlorobenzyl)sulfonyl-nipecotamide Formula: C23H28Cl2N2O3S MolecularWeight: 483.45102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H28Cl2N2O3S/c1-2-3-5-17-7-11-21(12-8-17)26-23(28)18-6-4-13-27(15-18)31(29,30)16-19-9-10-20(24)14-22(19)25/h7-12,14,18H,2-6,13,15-16H2,1H3,(H,26,28)