N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-thiazol-5-yl]amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-thiazol-5-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-(4-piperazin-1-ylsulfonylphenyl)isothiazol-5-yl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-[4-(1-piperazinylsulfonyl)phenyl]-5-isothiazolyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-thiazol-5-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-(4-piperazinosulfonylphenyl)isothiazol-5-yl]amino]valeramide Formula: C22H30N6O3S2 MolecularWeight: 490.642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C2=CC=C(C=C2)S(=O)(=O)N3CCNCC3)NC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CC1=NSC(=C1C2=CC=C(C=C2)S(=O)(=O)N3CCNCC3)NC(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C22H30N6O3S2/c1-15(2)14-19(21(29)25-9-8-23)26-22-20(16(3)27-32-22)17-4-6-18(7-5-17)33(30,31)28-12-10-24-11-13-28/h4-7,15,19,24,26H,9-14H2,1-3H3,(H,25,29)