methyl 4-[2-diethylaminoethyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[2-diethylaminoethyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[2-diethylaminoethyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[2-diethylaminoethyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-diethylaminoethyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[2-diethylaminoethyl-(6-mesyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

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