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

Systemtic Name: N-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-N-(2-methylpropyl)-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-2-(methylthio)-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-2-(methylthio)-1,3-benzothiazole-6-sulfonamide Formula: C22H29N3O3S3 MolecularWeight: 479.67896

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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=C(S3)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S3/c1-15(2)13-25(14-20(26)18(23)11-16-7-5-4-6-8-16)31(27,28)17-9-10-19-21(12-17)30-22(24-19)29-3/h4-10,12,15,18,20,26H,11,13-14,23H2,1-3H3