N-methyl-4-[4-(3-methylbutyl)piperazin-4-ium-1-yl]carbonyl-N-phenyl-benzenesulfonamide

Systemtic Name: N-methyl-4-[4-(3-methylbutyl)piperazin-4-ium-1-yl]carbonyl-N-phenyl-benzenesulfonamide Openeye Name: 4-(4-isopentylpiperazin-4-ium-1-carbonyl)-N-methyl-N-phenyl-benzenesulfonamide CAS Name: N-methyl-4-[[4-(3-methylbutyl)-1-piperazin-4-iumyl]-oxomethyl]-N-phenylbenzenesulfonamide IUPAC Name: N-methyl-4-[4-(3-methylbutyl)piperazin-4-ium-1-carbonyl]-N-phenylbenzenesulfonamide Traditional Name: 4-(4-isoamylpiperazin-4-ium-1-carbonyl)-N-methyl-N-phenyl-benzenesulfonamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-19(2)13-14-25-15-17-26(18-16-25)23(27)20-9-11-22(12-10-20)30(28,29)24(3)21-7-5-4-6-8-21/h4-12,19H,13-18H2,1-3H3/p+1