methyl 4-[bis(2-methoxyethyl)carbamoyl]-1-(4-bromophenyl)sulfonyl-piperazine-2-carboxylate

Systemtic Name: methyl 4-[bis(2-methoxyethyl)carbamoyl]-1-(4-bromophenyl)sulfonyl-piperazine-2-carboxylate Openeye Name: methyl 4-[bis(2-methoxyethyl)carbamoyl]-1-(4-bromophenyl)sulfonyl-piperazine-2-carboxylate CAS Name: 4-[[bis(2-methoxyethyl)amino]-oxomethyl]-1-(4-bromophenyl)sulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[bis(2-methoxyethyl)carbamoyl]-1-(4-bromophenyl)sulfonylpiperazine-2-carboxylate Traditional Name: 4-[bis(2-methoxyethyl)carbamoyl]-1-brosyl-piperazine-2-carboxylic acid methyl ester Formula: C19H28BrN3O7S MolecularWeight: 522.41052

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C(=O)N1CCN(C(C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COCCN(CCOC)C(=O)N1CCN(C(C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H28BrN3O7S/c1-28-12-10-21(11-13-29-2)19(25)22-8-9-23(17(14-22)18(24)30-3)31(26,27)16-6-4-15(20)5-7-16/h4-7,17H,8-14H2,1-3H3