4-[[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylanilino]-4-oxo-butanoate CAS Name: 4-[4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]anilino]-4-oxobutanoate IUPAC Name: 4-[4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylanilino]-4-oxobutanoate Traditional Name: 4-[4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylanilino]-4-keto-butyrate Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C27H29N3O5S/c31-25(15-16-26(32)33)28-23-11-13-24(14-12-23)36(34,35)30-19-17-29(18-20-30)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,27H,15-20H2,(H,28,31)(H,32,33)