6-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1,3-benzothiazole-2-sulfonamide

Systemtic Name: 6-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1,3-benzothiazole-2-sulfonamide Openeye Name: 6-[3-(tert-butylamino)-2-hydroxy-propoxy]-1,3-benzothiazole-2-sulfonamide CAS Name: 6-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-benzothiazole-2-sulfonamide IUPAC Name: 6-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-benzothiazole-2-sulfonamide Traditional Name: 6-[3-(tert-butylamino)-2-hydroxy-propoxy]-1,3-benzothiazole-2-sulfonamide Formula: C14H21N3O4S2 MolecularWeight: 359.46424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N)O

InChI

InChI=1S/C14H21N3O4S2/c1-14(2,3)16-7-9(18)8-21-10-4-5-11-12(6-10)22-13(17-11)23(15,19)20/h4-6,9,16,18H,7-8H2,1-3H3,(H2,15,19,20)