ethyl 4-(2-azanyl-3-cyano-6-methylsulfonyl-indol-1-yl)benzoate

Systemtic Name: ethyl 4-(2-azanyl-3-cyano-6-methylsulfonyl-indol-1-yl)benzoate Openeye Name: ethyl 4-(2-amino-3-cyano-6-methylsulfonyl-indol-1-yl)benzoate CAS Name: 4-(2-amino-3-cyano-6-methylsulfonyl-1-indolyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-amino-3-cyano-6-methylsulfonylindol-1-yl)benzoate Traditional Name: 4-(2-amino-3-cyano-6-mesyl-indol-1-yl)benzoic acid ethyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C3=C(C=CC(=C3)S(=O)(=O)C)C(=C2N)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C3=C(C=CC(=C3)S(=O)(=O)C)C(=C2N)C#N

InChI

InChI=1S/C19H17N3O4S/c1-3-26-19(23)12-4-6-13(7-5-12)22-17-10-14(27(2,24)25)8-9-15(17)16(11-20)18(22)21/h4-10H,3,21H2,1-2H3