2-[4-(1-methylpiperazin-2-yl)sulfonyl-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propanoic acid

Systemtic Name: 2-[4-(1-methylpiperazin-2-yl)sulfonyl-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propanoic acid Openeye Name: 2-[3-benzyl-4-(1-methylpiperazin-2-yl)sulfonyl-2-oxo-piperazin-1-yl]-3-thiazol-4-yl-propanoic acid CAS Name: 2-[4-[(1-methyl-2-piperazinyl)sulfonyl]-2-oxo-3-(phenylmethyl)-1-piperazinyl]-3-(4-thiazolyl)propanoic acid IUPAC Name: 2-[3-benzyl-4-(1-methylpiperazin-2-yl)sulfonyl-2-oxopiperazin-1-yl]-3-(1,3-thiazol-4-yl)propanoic acid Traditional Name: 2-[3-benzyl-2-keto-4-(1-methylpiperazin-2-yl)sulfonyl-piperazino]-3-thiazol-4-yl-propionic acid Formula: C22H29N5O5S2 MolecularWeight: 507.62616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCC1S(=O)(=O)N2CCN(C(=O)C2CC3=CC=CC=C3)C(CC4=CSC=N4)C(=O)O

Isomeric SMILES

CN1CCNCC1S(=O)(=O)N2CCN(C(=O)C2CC3=CC=CC=C3)C(CC4=CSC=N4)C(=O)O

InChI

InChI=1S/C22H29N5O5S2/c1-25-8-7-23-13-20(25)34(31,32)27-10-9-26(19(22(29)30)12-17-14-33-15-24-17)21(28)18(27)11-16-5-3-2-4-6-16/h2-6,14-15,18-20,23H,7-13H2,1H3,(H,29,30)