[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxypyridin-3-yl)-2-oxidanylidene-indol-3-yl] 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate

Systemtic Name: [5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxypyridin-3-yl)-2-oxidanylidene-indol-3-yl] 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate Openeye Name: [5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridyl)-2-oxo-indolin-3-yl] 4-(1-propyl-4-piperidyl)piperazine-1-carboxylate CAS Name: 4-(1-propyl-4-piperidinyl)-1-piperazinecarboxylic acid [5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxo-3-indolyl] ester IUPAC Name: [5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxypyridin-3-yl)-2-oxoindol-3-yl] 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(1-propyl-4-piperidyl)piperazine-1-carboxylic acid [5-cyano-3-(2-ethoxy-3-pyridyl)-2-keto-1-o-phenetylsulfonyl-indolin-3-yl] ester Formula: C37H44N6O7S MolecularWeight: 716.84626

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)N2CCN(CC2)C(=O)OC3(C4=C(C=CC(=C4)C#N)N(C3=O)S(=O)(=O)C5=CC=CC=C5OCC)C6=C(N=CC=C6)OCC

Isomeric SMILES

CCCN1CCC(CC1)N2CCN(CC2)C(=O)OC3(C4=C(C=CC(=C4)C#N)N(C3=O)S(=O)(=O)C5=CC=CC=C5OCC)C6=C(N=CC=C6)OCC

InChI

InChI=1S/C37H44N6O7S/c1-4-18-40-19-15-28(16-20-40)41-21-23-42(24-22-41)36(45)50-37(29-10-9-17-39-34(29)49-6-3)30-25-27(26-38)13-14-31(30)43(35(37)44)51(46,47)33-12-8-7-11-32(33)48-5-2/h7-14,17,25,28H,4-6,15-16,18-24H2,1-3H3