3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(phenylmethyl)sulfonylamino]pentanamide

Systemtic Name: 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(phenylmethyl)sulfonylamino]pentanamide Openeye Name: 2-(benzylsulfonylamino)-3-methyl-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]pentanamide CAS Name: 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(phenylmethyl)sulfonylamino]pentanamide IUPAC Name: 2-(benzylsulfonylamino)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide Traditional Name: 2-(benzylsulfonylamino)-3-methyl-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]valeramide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)C)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)C)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3S2/c1-4-16(3)19(26-31(28,29)14-17-10-6-5-7-11-17)20(27)23-22-25-24-21(30-22)18-12-8-9-15(2)13-18/h5-13,16,19,26H,4,14H2,1-3H3,(H,23,25,27)