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

Systemtic Name: methyl 1-(2-phenoxysulfonylpentyl)-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2-phenoxysulfonylpentyl)indole-5-carboxylate CAS Name: 1-(2-phenoxysulfonylpentyl)-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(2-phenoxysulfonylpentyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-phenoxysulfonylpentyl)indole-5-carboxylic acid methyl ester Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O5S/c1-3-10-26(37(33,34)36-25-13-8-5-9-14-25)21-31-20-24(19-30-18-22-11-6-4-7-12-22)27-17-23(29(32)35-2)15-16-28(27)31/h4-9,11-17,20,26,30H,3,10,18-19,21H2,1-2H3