ethyl 2-[[2-[(1-cyanocyclohexa-2,4-dien-1-yl)methyl]-1-methyl-indol-5-yl]-propylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[(1-cyanocyclohexa-2,4-dien-1-yl)methyl]-1-methyl-indol-5-yl]-propylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(1-cyanocyclohexa-2,4-dien-1-yl)methyl]-1-methyl-indol-5-yl]-propylsulfonyl-amino]acetate CAS Name: 2-[[2-[(1-cyano-1-cyclohexa-2,4-dienyl)methyl]-1-methyl-5-indolyl]-propylsulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(1-cyanocyclohexa-2,4-dien-1-yl)methyl]-1-methylindol-5-yl]-propylsulfonylamino]acetate Traditional Name: 2-[[2-[(1-cyanocyclohexa-2,4-dien-1-yl)methyl]-1-methyl-indol-5-yl]-propylsulfonyl-amino]acetic acid ethyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CC(=O)OCC)C1=CC2=C(C=C1)N(C(=C2)CC3(CC=CC=C3)C#N)C

Isomeric SMILES

CCCS(=O)(=O)N(CC(=O)OCC)C1=CC2=C(C=C1)N(C(=C2)CC3(CC=CC=C3)C#N)C

InChI

InChI=1S/C24H29N3O4S/c1-4-13-32(29,30)27(17-23(28)31-5-2)20-9-10-22-19(14-20)15-21(26(22)3)16-24(18-25)11-7-6-8-12-24/h6-11,14-15H,4-5,12-13,16-17H2,1-3H3