butyl 2-[[4-[4-(4-cyanophenyl)phenyl]sulfonylpiperidin-1-yl]carbonylamino]benzoate

Systemtic Name: butyl 2-[[4-[4-(4-cyanophenyl)phenyl]sulfonylpiperidin-1-yl]carbonylamino]benzoate Openeye Name: butyl 2-[[4-[4-(4-cyanophenyl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-[4-(4-cyanophenyl)phenyl]sulfonyl-1-piperidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-[[4-[4-(4-cyanophenyl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-[4-(4-cyanophenyl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoic acid butyl ester Formula: C30H31N3O5S MolecularWeight: 545.64924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C30H31N3O5S/c1-2-3-20-38-29(34)27-6-4-5-7-28(27)32-30(35)33-18-16-26(17-19-33)39(36,37)25-14-12-24(13-15-25)23-10-8-22(21-31)9-11-23/h4-15,26H,2-3,16-20H2,1H3,(H,32,35)