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

Systemtic Name: 2-azanyl-N-(3-methyl-2-oxidanyl-phenyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide Openeye Name: 2-amino-N-(2-hydroxy-3-methyl-phenyl)-N-isobutyl-1,3-benzothiazole-6-sulfonamide CAS Name: 2-amino-N-(2-hydroxy-3-methylphenyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide IUPAC Name: 2-amino-N-(2-hydroxy-3-methylphenyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide Traditional Name: 2-amino-N-(2-hydroxy-3-methyl-phenyl)-N-isobutyl-1,3-benzothiazole-6-sulfonamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S2/c1-11(2)10-21(15-6-4-5-12(3)17(15)22)26(23,24)13-7-8-14-16(9-13)25-18(19)20-14/h4-9,11,22H,10H2,1-3H3,(H2,19,20)