(2-ethoxyphenyl) 3-[[2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]benzenesulfonate

Systemtic Name: (2-ethoxyphenyl) 3-[[2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]benzenesulfonate Openeye Name: (2-ethoxyphenyl) 3-[[2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]benzenesulfonate CAS Name: 3-[[[2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]amino]-oxomethyl]benzenesulfonic acid (2-ethoxyphenyl) ester IUPAC Name: (2-ethoxyphenyl) 3-[[2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]benzenesulfonate Traditional Name: 3-[[2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]benzenesulfonic acid o-phenetyl ester Formula: C33H33N3O5S MolecularWeight: 583.69722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)N(C)C)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)N(C)C)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C33H33N3O5S/c1-4-40-31-14-7-8-15-32(31)41-42(38,39)26-11-9-10-24(20-26)33(37)35-21-28(23-16-18-25(19-17-23)36(2)3)29-22-34-30-13-6-5-12-27(29)30/h5-20,22,28,34H,4,21H2,1-3H3,(H,35,37)