methyl 3-[4-[[4-[(2-methyl-1-phenyl-propyl)carbamoyl]-2-phenyl-quinolin-3-yl]methyl]piperazin-1-yl]sulfonylpropanoate

Systemtic Name: methyl 3-[4-[[4-[(2-methyl-1-phenyl-propyl)carbamoyl]-2-phenyl-quinolin-3-yl]methyl]piperazin-1-yl]sulfonylpropanoate Openeye Name: methyl 3-[4-[[4-[(2-methyl-1-phenyl-propyl)carbamoyl]-2-phenyl-3-quinolyl]methyl]piperazin-1-yl]sulfonylpropanoate CAS Name: 3-[[4-[[4-[[(2-methyl-1-phenylpropyl)amino]-oxomethyl]-2-phenyl-3-quinolinyl]methyl]-1-piperazinyl]sulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[4-[(2-methyl-1-phenylpropyl)carbamoyl]-2-phenylquinolin-3-yl]methyl]piperazin-1-yl]sulfonylpropanoate Traditional Name: 3-[4-[[4-[(2-methyl-1-phenyl-propyl)carbamoyl]-2-phenyl-3-quinolyl]methyl]piperazino]sulfonylpropionic acid methyl ester Formula: C35H40N4O5S MolecularWeight: 628.7809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)S(=O)(=O)CCC(=O)OC

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)S(=O)(=O)CCC(=O)OC

InChI

InChI=1S/C35H40N4O5S/c1-25(2)33(26-12-6-4-7-13-26)37-35(41)32-28-16-10-11-17-30(28)36-34(27-14-8-5-9-15-27)29(32)24-38-19-21-39(22-20-38)45(42,43)23-18-31(40)44-3/h4-17,25,33H,18-24H2,1-3H3,(H,37,41)