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

Systemtic Name: methyl 1-(2-phenoxysulfonylbutyl)-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylate CAS Name: 1-(2-phenoxysulfonylbutyl)-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylic acid methyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O5S/c1-3-25(36(32,33)35-24-12-8-5-9-13-24)20-30-19-23(18-29-17-21-10-6-4-7-11-21)26-16-22(28(31)34-2)14-15-27(26)30/h4-16,19,25,29H,3,17-18,20H2,1-2H3