2-[4-[9-[(4-sulfamoylphenyl)amino]acridin-4-yl]carbonylpiperazin-1-yl]ethyl methanesulfonate

Systemtic Name: 2-[4-[9-[(4-sulfamoylphenyl)amino]acridin-4-yl]carbonylpiperazin-1-yl]ethyl methanesulfonate Openeye Name: 2-[4-[9-(4-sulfamoylanilino)acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-[oxo-[9-(4-sulfamoylanilino)-4-acridinyl]methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[9-(4-sulfamoylanilino)acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-[9-(4-sulfamoylanilino)acridine-4-carbonyl]piperazino]ethyl ester Formula: C27H29N5O6S2 MolecularWeight: 583.67906

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN1CCN(CC1)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)NC5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

CS(=O)(=O)OCCN1CCN(CC1)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)NC5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C27H29N5O6S2/c1-39(34,35)38-18-17-31-13-15-32(16-14-31)27(33)23-7-4-6-22-25(21-5-2-3-8-24(21)30-26(22)23)29-19-9-11-20(12-10-19)40(28,36)37/h2-12H,13-18H2,1H3,(H,29,30)(H2,28,36,37)