methyl 4-[2-diethylaminoethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[2-diethylaminoethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[2-diethylaminoethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[2-diethylaminoethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-diethylaminoethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[2-diethylaminoethyl-(4-mesyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C23H27N3O5S2 MolecularWeight: 489.60758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H27N3O5S2/c1-5-25(6-2)14-15-26(21(27)16-10-12-17(13-11-16)22(28)31-3)23-24-20-18(32-23)8-7-9-19(20)33(4,29)30/h7-13H,5-6,14-15H2,1-4H3