butyl 4-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(3,4-dichlorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3,4-dichlorobenzyl)sulfonylisonipecotoyl]amino]benzoic acid butyl ester Formula: C24H28Cl2N2O5S MolecularWeight: 527.46052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H28Cl2N2O5S/c1-2-3-14-33-24(30)19-5-7-20(8-6-19)27-23(29)18-10-12-28(13-11-18)34(31,32)16-17-4-9-21(25)22(26)15-17/h4-9,15,18H,2-3,10-14,16H2,1H3,(H,27,29)