2-(diphenylmethyl)sulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-(diphenylmethyl)sulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-benzhydrylsulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide CAS Name: 2-[(diphenylmethyl)thio]-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-benzhydrylsulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-(benzhydrylthio)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C26H30N3O3S2+ MolecularWeight: 496.6647

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S2/c1-28-16-18-29(19-17-28)34(31,32)24-14-12-23(13-15-24)27-25(30)20-33-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,26H,16-20H2,1H3,(H,27,30)/p+1