N-tert-butyl-3-[(1,3-dimethylpyrazol-4-yl)methylamino]-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-[(1,3-dimethylpyrazol-4-yl)methylamino]-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]benzenesulfonamide Openeye Name: N-tert-butyl-3-[(1,3-dimethylpyrazol-4-yl)methylamino]-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-tert-butyl-3-[(1,3-dimethyl-4-pyrazolyl)methylamino]-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]benzenesulfonamide IUPAC Name: N-tert-butyl-3-[(1,3-dimethylpyrazol-4-yl)methylamino]-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-tert-butyl-3-[(1,3-dimethylpyrazol-4-yl)methylamino]-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Formula: C23H37N6O3S+ MolecularWeight: 477.64328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC2=CC(=CC(=C2)C(=O)N3CCC[NH+](CC3)C)S(=O)(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=NN(C=C1CNC2=CC(=CC(=C2)C(=O)N3CCC[NH+](CC3)C)S(=O)(=O)NC(C)(C)C)C

InChI

InChI=1S/C23H36N6O3S/c1-17-19(16-28(6)25-17)15-24-20-12-18(22(30)29-9-7-8-27(5)10-11-29)13-21(14-20)33(31,32)26-23(2,3)4/h12-14,16,24,26H,7-11,15H2,1-6H3/p+1