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

Systemtic Name: N,N-bis(2-cyanoethyl)-4-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-bis(2-cyanoethyl)-4-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-bis(2-cyanoethyl)-4-[[4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-bis(2-cyanoethyl)-4-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-bis(2-cyanoethyl)-4-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Formula: C26H28N6O3S2 MolecularWeight: 536.66892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C26H28N6O3S2/c1-2-20-5-10-23-24(19-20)36-26(29-23)31-17-15-30(16-18-31)25(33)21-6-8-22(9-7-21)37(34,35)32(13-3-11-27)14-4-12-28/h5-10,19H,2-4,13-18H2,1H3