methyl 3-[methyl-(phenylmethyl)amino]-3-[2-methyl-1-(phenylsulfonyl)indol-6-yl]propanoate

Systemtic Name: methyl 3-[methyl-(phenylmethyl)amino]-3-[2-methyl-1-(phenylsulfonyl)indol-6-yl]propanoate Openeye Name: methyl 3-[1-(benzenesulfonyl)-2-methyl-indol-6-yl]-3-[benzyl(methyl)amino]propanoate CAS Name: 3-[1-(benzenesulfonyl)-2-methyl-6-indolyl]-3-[methyl-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(benzenesulfonyl)-2-methylindol-6-yl]-3-[benzyl(methyl)amino]propanoate Traditional Name: 3-[benzyl(methyl)amino]-3-(1-besyl-2-methyl-indol-6-yl)propionic acid methyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=C(C=C2)C(CC(=O)OC)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=C(C=C2)C(CC(=O)OC)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4S/c1-20-16-22-14-15-23(17-26(22)29(20)34(31,32)24-12-8-5-9-13-24)25(18-27(30)33-3)28(2)19-21-10-6-4-7-11-21/h4-17,25H,18-19H2,1-3H3