N-(1,3-benzothiazol-2-ylmethyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-methyl-2-(p-tolylsulfonylamino)pentanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-methyl-2-(tosylamino)valeramide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3O3S2/c1-14(2)12-18(24-29(26,27)16-10-8-15(3)9-11-16)21(25)22-13-20-23-17-6-4-5-7-19(17)28-20/h4-11,14,18,24H,12-13H2,1-3H3,(H,22,25)