N-(2-cyanoethyl)-3-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-3-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-3-[4-[(5-phenyl-2-thienyl)methyl]piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(2-cyanoethyl)-3-[oxo-[4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-3-[4-[(5-phenylthiophen-2-yl)methyl]piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-3-[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(=CC=C4)S(=O)(=O)NCCC#N

Isomeric SMILES

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

InChI

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