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

Systemtic Name: N-tert-butyl-3-(ethylamino)-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]benzenesulfonamide Openeye Name: N-tert-butyl-3-(ethylamino)-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-tert-butyl-3-(ethylamino)-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]benzenesulfonamide IUPAC Name: N-tert-butyl-3-(ethylamino)-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-tert-butyl-3-(ethylamino)-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Formula: C19H33N4O3S+ MolecularWeight: 397.55532

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=CC(=C1)C(=O)N2CCC[NH+](CC2)C)S(=O)(=O)NC(C)(C)C

Isomeric SMILES

CCNC1=CC(=CC(=C1)C(=O)N2CCC[NH+](CC2)C)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C19H32N4O3S/c1-6-20-16-12-15(18(24)23-9-7-8-22(5)10-11-23)13-17(14-16)27(25,26)21-19(2,3)4/h12-14,20-21H,6-11H2,1-5H3/p+1