methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O6S/c1-30-18-8-10-19(11-9-18)32(28,29)25-14-12-24(13-15-25)22(27)23-20(21(26)31-2)16-17-6-4-3-5-7-17/h3-11,20H,12-16H2,1-2H3,(H,23,27)/t20-/m0/s1