methyl 1-(4-methyl-2-phenoxysulfonyl-pentyl)-3-(propylaminomethyl)indole-5-carboxylate

Systemtic Name: methyl 1-(4-methyl-2-phenoxysulfonyl-pentyl)-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-(4-methyl-2-phenoxysulfonyl-pentyl)-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-(4-methyl-2-phenoxysulfonylpentyl)-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methyl-2-phenoxysulfonylpentyl)-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-(4-methyl-2-phenoxysulfonyl-pentyl)-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC(C)C)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC(C)C)S(=O)(=O)OC3=CC=CC=C3

InChI

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