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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N,N-bis(2-cyanoethyl)benzenesulfonamide Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-bis(2-cyanoethyl)benzenesulfonamide CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-N,N-bis(2-cyanoethyl)benzenesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-bis(2-cyanoethyl)benzenesulfonamide Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-bis(2-cyanoethyl)benzenesulfonamide Formula: C24H24N6O3S2 MolecularWeight: 508.61576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C24H24N6O3S2/c25-11-3-13-30(14-4-12-26)35(32,33)20-9-7-19(8-10-20)23(31)28-15-17-29(18-16-28)24-27-21-5-1-2-6-22(21)34-24/h1-2,5-10H,3-4,13-18H2