ethyl 3-[3-(3-methylindol-1-yl)propanoyl-methylsulfonyl-amino]benzoate

Systemtic Name: ethyl 3-[3-(3-methylindol-1-yl)propanoyl-methylsulfonyl-amino]benzoate Openeye Name: ethyl 3-[3-(3-methylindol-1-yl)propanoyl-methylsulfonyl-amino]benzoate CAS Name: 3-[[3-(3-methyl-1-indolyl)-1-oxopropyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(3-methylindol-1-yl)propanoyl-methylsulfonylamino]benzoate Traditional Name: 3-[mesyl-[3-(3-methylindol-1-yl)propanoyl]amino]benzoic acid ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CCN2C=C(C3=CC=CC=C32)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CCN2C=C(C3=CC=CC=C32)C)S(=O)(=O)C

InChI

InChI=1S/C22H24N2O5S/c1-4-29-22(26)17-8-7-9-18(14-17)24(30(3,27)28)21(25)12-13-23-15-16(2)19-10-5-6-11-20(19)23/h5-11,14-15H,4,12-13H2,1-3H3