methyl 3-[(2-methylpropylamino)methyl]-1-(2-phenoxysulfonylpropyl)indole-5-carboxylate

Systemtic Name: methyl 3-[(2-methylpropylamino)methyl]-1-(2-phenoxysulfonylpropyl)indole-5-carboxylate Openeye Name: methyl 3-[(isobutylamino)methyl]-1-(2-phenoxysulfonylpropyl)indole-5-carboxylate CAS Name: 3-[(2-methylpropylamino)methyl]-1-(2-phenoxysulfonylpropyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methylpropylamino)methyl]-1-(2-phenoxysulfonylpropyl)indole-5-carboxylate Traditional Name: 3-[(isobutylamino)methyl]-1-(2-phenoxysulfonylpropyl)indole-5-carboxylic acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5S/c1-17(2)13-25-14-20-16-26(23-11-10-19(12-22(20)23)24(27)30-4)15-18(3)32(28,29)31-21-8-6-5-7-9-21/h5-12,16-18,25H,13-15H2,1-4H3