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

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S2/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