N-(2-cyanoethyl)-4-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-4-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-4-[4-[(5-phenyl-2-thienyl)methyl]piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(2-cyanoethyl)-4-[oxo-[4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-4-[4-[(5-phenylthiophen-2-yl)methyl]piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-4-[4-[(5-phenyl-2-thienyl)methyl]piperazine-1-carbonyl]benzenesulfonamide Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)NCCC#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)NCCC#N

InChI

InChI=1S/C25H26N4O3S2/c26-13-4-14-27-34(31,32)23-10-7-21(8-11-23)25(30)29-17-15-28(16-18-29)19-22-9-12-24(33-22)20-5-2-1-3-6-20/h1-3,5-12,27H,4,14-19H2