2-methyl-N-(phenylmethyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-methyl-N-(phenylmethyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-benzyl-5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-benzenesulfonamide CAS Name: 2-methyl-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methylbenzenesulfonamide Traditional Name: N-benzyl-5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-benzenesulfonamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-21-12-13-24(18-25(21)33(31,32)27-19-22-8-4-2-5-9-22)26(30)29-16-14-28(15-17-29)20-23-10-6-3-7-11-23/h2-13,18,27H,14-17,19-20H2,1H3/p+1