N-[(2-methylphenyl)methyl]-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[(2-methylphenyl)methyl]-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-N-(o-tolylmethyl)methanesulfonamide CAS Name: N-[(2-methylphenyl)methyl]-N-[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]methanesulfonamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-N-(2-methylbenzyl)methanesulfonamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C27H31N3O3S/c1-22-8-6-7-11-25(22)21-30(34(2,32)33)26-14-12-24(13-15-26)27(31)29-18-16-28(17-19-29)20-23-9-4-3-5-10-23/h3-15H,16-21H2,1-2H3/p+1