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

Systemtic Name: methyl 3-[[(phenylmethyl)amino]methyl]-1-(2-propan-2-ylsulfonylpropyl)indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2-isopropylsulfonylpropyl)indole-5-carboxylate CAS Name: 3-[[(phenylmethyl)amino]methyl]-1-(2-propan-2-ylsulfonylpropyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(2-propan-2-ylsulfonylpropyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-isopropylsulfonylpropyl)indole-5-carboxylic acid methyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4S/c1-17(2)31(28,29)18(3)15-26-16-21(14-25-13-19-8-6-5-7-9-19)22-12-20(24(27)30-4)10-11-23(22)26/h5-12,16-18,25H,13-15H2,1-4H3