4-[3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]phenyl]sulfonylpiperazin-2-one

Systemtic Name: 4-[3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]phenyl]sulfonylpiperazin-2-one Openeye Name: 4-[3-[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-carbonyl]phenyl]sulfonylpiperazin-2-one CAS Name: 4-[3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]phenyl]sulfonyl-2-piperazinone IUPAC Name: 4-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]phenyl]sulfonylpiperazin-2-one Traditional Name: 4-[3-[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-carbonyl]phenyl]sulfonylpiperazin-2-one Formula: C24H31N4O4S+ MolecularWeight: 471.59234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C24H30N4O4S/c1-19-6-8-20(9-7-19)17-26-11-3-12-27(15-14-26)24(30)21-4-2-5-22(16-21)33(31,32)28-13-10-25-23(29)18-28/h2,4-9,16H,3,10-15,17-18H2,1H3,(H,25,29)/p+1