N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[(4-mesylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]butyramide Formula: C18H19N3O5S3 MolecularWeight: 453.55556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H19N3O5S3/c1-3-4-17(22)20-18-19-15-10-5-12(11-16(15)27-18)21-29(25,26)14-8-6-13(7-9-14)28(2,23)24/h5-11,21H,3-4H2,1-2H3,(H,19,20,22)