N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-valeramide Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C)NS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O5S2/c1-13(2)11-19(26-33(29,30)17-8-6-16(31-4)7-9-17)21(28)25-22-24-18-10-5-15(23-14(3)27)12-20(18)32-22/h5-10,12-13,19,26H,11H2,1-4H3,(H,23,27)(H,24,25,28)