4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-N-phenyl-benzenesulfonamide Openeye Name: N-phenyl-4-[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]-N-phenylbenzenesulfonamide IUPAC Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-N-phenylbenzenesulfonamide Traditional Name: 4-[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-carbonyl]-N-phenyl-benzenesulfonamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4

InChI

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