4-[4-(5-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N,N-bis(2-cyanoethyl)benzenesulfonamide

Systemtic Name: 4-[4-(5-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N,N-bis(2-cyanoethyl)benzenesulfonamide Openeye Name: 4-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-bis(2-cyanoethyl)benzenesulfonamide CAS Name: 4-[[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-N,N-bis(2-cyanoethyl)benzenesulfonamide IUPAC Name: 4-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-bis(2-cyanoethyl)benzenesulfonamide Traditional Name: 4-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-bis(2-cyanoethyl)benzenesulfonamide Formula: C25H25ClN6O4S2 MolecularWeight: 573.0868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N)Cl

Isomeric SMILES

COC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N)Cl

InChI

InChI=1S/C25H25ClN6O4S2/c1-36-23-20(26)8-9-21-22(23)29-25(37-21)31-16-14-30(15-17-31)24(33)18-4-6-19(7-5-18)38(34,35)32(12-2-10-27)13-3-11-28/h4-9H,2-3,12-17H2,1H3