N-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide hydrochloride

Systemtic Name: N-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide hydrochloride Openeye Name: N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-1,3-benzothiazole-6-sulfonamide hydrochloride CAS Name: N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide hydrochloride IUPAC Name: N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide hydrochloride Traditional Name: N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-1,3-benzothiazole-6-sulfonamide hydrochloride Formula: C21H28ClN3O3S2 MolecularWeight: 470.04832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC3=C(C=C2)N=CS3.Cl

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC3=C(C=C2)N=CS3.Cl

InChI

InChI=1S/C21H27N3O3S2.ClH/c1-15(2)12-24(13-20(25)18(22)10-16-6-4-3-5-7-16)29(26,27)17-8-9-19-21(11-17)28-14-23-19;/h3-9,11,14-15,18,20,25H,10,12-13,22H2,1-2H3;1H