[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-[(4-benzyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-benzylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperidino)sulfonylbenzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C26H25N3O5S2/c27-17-22-11-14-35-25(22)28-24(30)18-34-26(31)21-7-4-8-23(16-21)36(32,33)29-12-9-20(10-13-29)15-19-5-2-1-3-6-19/h1-8,11,14,16,20H,9-10,12-13,15,18H2,(H,28,30)