[2-[3-(1H-benzimidazol-2-yl)-4-(phenylsulfonyl)piperazin-1-yl]carbonylphenyl] ethanoate

Systemtic Name: [2-[3-(1H-benzimidazol-2-yl)-4-(phenylsulfonyl)piperazin-1-yl]carbonylphenyl] ethanoate Openeye Name: [2-[4-(benzenesulfonyl)-3-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl] acetate CAS Name: acetic acid [2-[[4-(benzenesulfonyl)-3-(1H-benzimidazol-2-yl)-1-piperazinyl]-oxomethyl]phenyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)-3-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl] acetate Traditional Name: acetic acid [2-[3-(1H-benzimidazol-2-yl)-4-besyl-piperazine-1-carbonyl]phenyl] ester Formula: C26H24N4O5S MolecularWeight: 504.55756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)N2CCN(C(C2)C3=NC4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)N2CCN(C(C2)C3=NC4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O5S/c1-18(31)35-24-14-8-5-11-20(24)26(32)29-15-16-30(36(33,34)19-9-3-2-4-10-19)23(17-29)25-27-21-12-6-7-13-22(21)28-25/h2-14,23H,15-17H2,1H3,(H,27,28)