methyl 2-[3-[(4-dimethylaminophenyl)methylcarbamoyl]-4-(4-iodophenyl)sulfonyl-piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-[(4-dimethylaminophenyl)methylcarbamoyl]-4-(4-iodophenyl)sulfonyl-piperazin-1-yl]ethanoate Openeye Name: methyl 2-[3-[(4-dimethylaminophenyl)methylcarbamoyl]-4-(4-iodophenyl)sulfonyl-piperazin-1-yl]acetate CAS Name: 2-[3-[[(4-dimethylaminophenyl)methylamino]-oxomethyl]-4-(4-iodophenyl)sulfonyl-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(4-dimethylaminophenyl)methylcarbamoyl]-4-(4-iodophenyl)sulfonylpiperazin-1-yl]acetate Traditional Name: 2-[3-[[4-(dimethylamino)benzyl]carbamoyl]-4-(4-iodophenyl)sulfonyl-piperazino]acetic acid methyl ester Formula: C23H29IN4O5S MolecularWeight: 600.46963

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C2CN(CCN2S(=O)(=O)C3=CC=C(C=C3)I)CC(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C2CN(CCN2S(=O)(=O)C3=CC=C(C=C3)I)CC(=O)OC

InChI

InChI=1S/C23H29IN4O5S/c1-26(2)19-8-4-17(5-9-19)14-25-23(30)21-15-27(16-22(29)33-3)12-13-28(21)34(31,32)20-10-6-18(24)7-11-20/h4-11,21H,12-16H2,1-3H3,(H,25,30)