N-tert-butyl-3-[[(2S)-2-methylbutyl]amino]-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-[[(2S)-2-methylbutyl]amino]-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]benzenesulfonamide Openeye Name: N-tert-butyl-3-[[(2S)-2-methylbutyl]amino]-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-tert-butyl-3-[[(2S)-2-methylbutyl]amino]-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]benzenesulfonamide IUPAC Name: N-tert-butyl-3-[[(2S)-2-methylbutyl]amino]-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-tert-butyl-3-[[(2S)-2-methylbutyl]amino]-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Formula: C22H39N4O3S+ MolecularWeight: 439.63506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=CC(=CC(=C1)C(=O)N2CCC[NH+](CC2)C)S(=O)(=O)NC(C)(C)C

Isomeric SMILES

CC[C@H](C)CNC1=CC(=CC(=C1)C(=O)N2CCC[NH+](CC2)C)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C22H38N4O3S/c1-7-17(2)16-23-19-13-18(21(27)26-10-8-9-25(6)11-12-26)14-20(15-19)30(28,29)24-22(3,4)5/h13-15,17,23-24H,7-12,16H2,1-6H3/p+1/t17-/m0/s1