3-[(1-butylsulfonyl-4-phenyl-piperidin-4-yl)carbonylamino]-2-methyl-4-phenyl-butanoic acid

Systemtic Name: 3-[(1-butylsulfonyl-4-phenyl-piperidin-4-yl)carbonylamino]-2-methyl-4-phenyl-butanoic acid Openeye Name: 3-[(1-butylsulfonyl-4-phenyl-piperidine-4-carbonyl)amino]-2-methyl-4-phenyl-butanoic acid CAS Name: 3-[[(1-butylsulfonyl-4-phenyl-4-piperidinyl)-oxomethyl]amino]-2-methyl-4-phenylbutanoic acid IUPAC Name: 3-[(1-butylsulfonyl-4-phenylpiperidine-4-carbonyl)amino]-2-methyl-4-phenylbutanoic acid Traditional Name: 3-[(1-butylsulfonyl-4-phenyl-isonipecotoyl)amino]-2-methyl-4-phenyl-butyric acid Formula: C27H36N2O5S MolecularWeight: 500.65014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(C)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(C)C(=O)O

InChI

InChI=1S/C27H36N2O5S/c1-3-4-19-35(33,34)29-17-15-27(16-18-29,23-13-9-6-10-14-23)26(32)28-24(21(2)25(30)31)20-22-11-7-5-8-12-22/h5-14,21,24H,3-4,15-20H2,1-2H3,(H,28,32)(H,30,31)