4-(benzotriazol-1-ylmethyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Formula: C25H27N6O3S+ MolecularWeight: 491.58528

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H26N6O3S/c1-29-14-16-30(17-15-29)35(33,34)22-12-10-21(11-13-22)26-25(32)20-8-6-19(7-9-20)18-31-24-5-3-2-4-23(24)27-28-31/h2-13H,14-18H2,1H3,(H,26,32)/p+1