N,N-bis(2-cyanoethyl)-4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-bis(2-cyanoethyl)-4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-bis(2-cyanoethyl)-4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-bis(2-cyanoethyl)-4-[[4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-bis(2-cyanoethyl)-4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-bis(2-cyanoethyl)-4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Formula: C25H26N6O3S2 MolecularWeight: 522.64234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C25H26N6O3S2/c1-19-5-2-6-22-23(19)28-25(35-22)30-17-15-29(16-18-30)24(32)20-7-9-21(10-8-20)36(33,34)31(13-3-11-26)14-4-12-27/h2,5-10H,3-4,13-18H2,1H3