[1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-[(9-ethyl-3-carbazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-[(9-ethylcarbazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H24N2O5S MolecularWeight: 464.53346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)C)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)C)C4=CC=CC=C41

InChI

InChI=1S/C25H24N2O5S/c1-4-27-22-11-6-5-10-20(22)21-15-18(12-13-23(21)27)26-24(28)16(2)32-25(29)17-8-7-9-19(14-17)33(3,30)31/h5-16H,4H2,1-3H3,(H,26,28)