N,N-bis(2-cyanoethyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-bis(2-cyanoethyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-bis(2-cyanoethyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-bis(2-cyanoethyl)-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-bis(2-cyanoethyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-bis(2-cyanoethyl)-4-[4-(6-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=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C25H26N6O3S2/c1-19-4-9-22-23(18-19)35-25(28-22)30-16-14-29(15-17-30)24(32)20-5-7-21(8-6-20)36(33,34)31(12-2-10-26)13-3-11-27/h4-9,18H,2-3,12-17H2,1H3