N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)-(phenylsulfonyl)amino]propanamide

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)-(phenylsulfonyl)amino]propanamide Openeye Name: 3-[N-(benzenesulfonyl)-4-methyl-anilino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-[N-(benzenesulfonyl)-4-methylanilino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-[N-(benzenesulfonyl)-4-methylanilino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(N-besyl-4-methyl-anilino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC(=O)NC2=NN=C(S2)C3CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC(=O)NC2=NN=C(S2)C3CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S2/c1-15-7-11-17(12-8-15)25(30(27,28)18-5-3-2-4-6-18)14-13-19(26)22-21-24-23-20(29-21)16-9-10-16/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,22,24,26)