tert-butyl N-[2-[[3-oxidanyl-1-(phenylsulfonyl)azepan-1-ium-4-yl]carbamoyl]pentyl]carbamate

Systemtic Name: tert-butyl N-[2-[[3-oxidanyl-1-(phenylsulfonyl)azepan-1-ium-4-yl]carbamoyl]pentyl]carbamate Openeye Name: tert-butyl N-[2-[[1-(benzenesulfonyl)-3-hydroxy-azepan-1-ium-4-yl]carbamoyl]pentyl]carbamate CAS Name: N-[2-[[[1-(benzenesulfonyl)-3-hydroxy-4-azepan-1-iumyl]amino]-oxomethyl]pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[1-(benzenesulfonyl)-3-hydroxyazepan-1-ium-4-yl]carbamoyl]pentyl]carbamate Traditional Name: N-[2-[(1-besyl-3-hydroxy-azepan-1-ium-4-yl)carbamoyl]pentyl]carbamic acid tert-butyl ester Formula: C23H38N3O6S+ MolecularWeight: 484.62932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC(=O)OC(C)(C)C)C(=O)NC1CCC[NH+](CC1O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC(CNC(=O)OC(C)(C)C)C(=O)NC1CCC[NH+](CC1O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H37N3O6S/c1-5-10-17(15-24-22(29)32-23(2,3)4)21(28)25-19-13-9-14-26(16-20(19)27)33(30,31)18-11-7-6-8-12-18/h6-8,11-12,17,19-20,27H,5,9-10,13-16H2,1-4H3,(H,24,29)(H,25,28)/p+1