methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 3-[[[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 3-[[4-(4-methylpiperazino)sulfonylbenzoyl]amino]benzoic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H23N3O5S/c1-22-10-12-23(13-11-22)29(26,27)18-8-6-15(7-9-18)19(24)21-17-5-3-4-16(14-17)20(25)28-2/h3-9,14H,10-13H2,1-2H3,(H,21,24)