[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (2-indolin-1-yl-2-oxo-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2-indolin-1-yl-2-keto-ethyl) ester Formula: C23H25ClN2O5S MolecularWeight: 476.973

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C43)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C43)Cl

InChI

InChI=1S/C23H25ClN2O5S/c24-19-10-9-18(15-21(19)32(29,30)25-12-5-1-2-6-13-25)23(28)31-16-22(27)26-14-11-17-7-3-4-8-20(17)26/h3-4,7-10,15H,1-2,5-6,11-14,16H2