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

Systemtic Name: methyl 3-[(2-methylpropylamino)methyl]-1-(2-phenoxysulfonylpentyl)indole-5-carboxylate Openeye Name: methyl 3-[(isobutylamino)methyl]-1-(2-phenoxysulfonylpentyl)indole-5-carboxylate CAS Name: 3-[(2-methylpropylamino)methyl]-1-(2-phenoxysulfonylpentyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methylpropylamino)methyl]-1-(2-phenoxysulfonylpentyl)indole-5-carboxylate Traditional Name: 3-[(isobutylamino)methyl]-1-(2-phenoxysulfonylpentyl)indole-5-carboxylic acid methyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O5S/c1-5-9-23(34(30,31)33-22-10-7-6-8-11-22)18-28-17-21(16-27-15-19(2)3)24-14-20(26(29)32-4)12-13-25(24)28/h6-8,10-14,17,19,23,27H,5,9,15-16,18H2,1-4H3