N-tert-butyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-tert-butyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-sulfonamide Openeye Name: N-tert-butyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-sulfonamide CAS Name: N-tert-butyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-tert-butyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-sulfonamide Traditional Name: N-tert-butyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-sulfonamide Formula: C18H21N3O5S3 MolecularWeight: 455.57144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H21N3O5S3/c1-18(2,3)21-29(24,25)14-9-10-15-16(11-14)27-17(19-15)20-28(22,23)13-7-5-12(26-4)6-8-13/h5-11,21H,1-4H3,(H,19,20)