ethyl (2R)-3-[6-methoxy-1-(phenylsulfonyl)indol-3-yl]-2-[(phenylmethyl)amino]propanoate

Systemtic Name: ethyl (2R)-3-[6-methoxy-1-(phenylsulfonyl)indol-3-yl]-2-[(phenylmethyl)amino]propanoate Openeye Name: ethyl (2R)-3-[1-(benzenesulfonyl)-6-methoxy-indol-3-yl]-2-(benzylamino)propanoate CAS Name: (2R)-3-[1-(benzenesulfonyl)-6-methoxy-3-indolyl]-2-[(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-[1-(benzenesulfonyl)-6-methoxyindol-3-yl]-2-(benzylamino)propanoate Traditional Name: (2R)-2-(benzylamino)-3-(1-besyl-6-methoxy-indol-3-yl)propionic acid ethyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN(C2=C1C=CC(=C2)OC)S(=O)(=O)C3=CC=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@H](CC1=CN(C2=C1C=CC(=C2)OC)S(=O)(=O)C3=CC=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c1-3-34-27(30)25(28-18-20-10-6-4-7-11-20)16-21-19-29(26-17-22(33-2)14-15-24(21)26)35(31,32)23-12-8-5-9-13-23/h4-15,17,19,25,28H,3,16,18H2,1-2H3/t25-/m1/s1