methyl 4-[[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]carbamoyl]benzoate CAS Name: 4-[[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]carbamoyl]benzoate Traditional Name: 4-[[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]carbamoyl]benzoic acid methyl ester Formula: C25H33N4O5S+ MolecularWeight: 501.61832

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H32N4O5S/c1-27-14-16-28(17-15-27)23-11-10-21(35(32,33)29-12-4-3-5-13-29)18-22(23)26-24(30)19-6-8-20(9-7-19)25(31)34-2/h6-11,18H,3-5,12-17H2,1-2H3,(H,26,30)/p+1