[[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]carbonylamino] 2-(phenylsulfonylamino)propanoate

Systemtic Name: [[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]carbonylamino] 2-(phenylsulfonylamino)propanoate Openeye Name: [[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]benzoyl]amino] 2-(benzenesulfonamido)propanoate CAS Name: 2-(benzenesulfonamido)propanoic acid [[[4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]phenyl]-oxomethyl]amino] ester IUPAC Name: [[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]benzoyl]amino] 2-(benzenesulfonamido)propanoate Traditional Name: 2-(benzenesulfonamido)propionic acid [[4-[4-(1H-benzimidazol-2-ylmethyl)piperazino]benzoyl]amino] ester Formula: C28H30N6O5S MolecularWeight: 562.64

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)ONC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=NC4=CC=CC=C4N3)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)ONC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=NC4=CC=CC=C4N3)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H30N6O5S/c1-20(32-40(37,38)23-7-3-2-4-8-23)28(36)39-31-27(35)21-11-13-22(14-12-21)34-17-15-33(16-18-34)19-26-29-24-9-5-6-10-25(24)30-26/h2-14,20,32H,15-19H2,1H3,(H,29,30)(H,31,35)