(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C25H23N5O5S MolecularWeight: 505.54562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H23N5O5S/c31-24-22-11-4-5-12-23(22)26-27-30(24)18-35-25(32)19-7-6-10-21(17-19)36(33,34)29-15-13-28(14-16-29)20-8-2-1-3-9-20/h1-12,17H,13-16,18H2