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

Systemtic Name: methyl 3-[(2-methylpropylamino)methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylate Openeye Name: methyl 3-[(isobutylamino)methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylate CAS Name: 3-[(2-methylpropylamino)methyl]-1-(2-phenoxysulfonylbutyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methylpropylamino)methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylate Traditional Name: 3-[(isobutylamino)methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylic acid methyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC(C)C)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC(C)C)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O5S/c1-5-22(33(29,30)32-21-9-7-6-8-10-21)17-27-16-20(15-26-14-18(2)3)23-13-19(25(28)31-4)11-12-24(23)27/h6-13,16,18,22,26H,5,14-15,17H2,1-4H3