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

Systemtic Name: methyl 4-[2-dimethylaminoethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[2-dimethylaminoethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[2-dimethylaminoethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-dimethylaminoethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[2-dimethylaminoethyl-(4-mesyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S2/c1-23(2)12-13-24(19(25)14-8-10-15(11-9-14)20(26)29-3)21-22-18-16(30-21)6-5-7-17(18)31(4,27)28/h5-11H,12-13H2,1-4H3