[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3CCCN3S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3CCCN3S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H26N2O7S/c1-2-16-5-3-6-18-19(14-26-24(16)18)21(28)15-34-25(29)20-7-4-10-27(20)35(30,31)17-8-9-22-23(13-17)33-12-11-32-22/h3,5-6,8-9,13-14,20,26H,2,4,7,10-12,15H2,1H3