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

Systemtic Name: 2-azanyl-N-(2-methylpropyl)-N-(3-oxidanyl-4-phenyl-butyl)-1,3-benzothiazole-6-sulfonamide Openeye Name: 2-amino-N-(3-hydroxy-4-phenyl-butyl)-N-isobutyl-1,3-benzothiazole-6-sulfonamide CAS Name: 2-amino-N-(3-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide IUPAC Name: 2-amino-N-(3-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide Traditional Name: 2-amino-N-(3-hydroxy-4-phenyl-butyl)-N-isobutyl-1,3-benzothiazole-6-sulfonamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC(CC1=CC=CC=C1)O)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

CC(C)CN(CCC(CC1=CC=CC=C1)O)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N

InChI

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