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

Systemtic Name: methyl 1-(4-bromophenyl)sulfonyl-4-[hexyl(methyl)carbamoyl]piperazine-2-carboxylate Openeye Name: methyl 1-(4-bromophenyl)sulfonyl-4-[hexyl(methyl)carbamoyl]piperazine-2-carboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-4-[[hexyl(methyl)amino]-oxomethyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromophenyl)sulfonyl-4-[hexyl(methyl)carbamoyl]piperazine-2-carboxylate Traditional Name: 1-brosyl-4-[hexyl(methyl)carbamoyl]piperazine-2-carboxylic acid methyl ester Formula: C20H30BrN3O5S MolecularWeight: 504.4383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30BrN3O5S/c1-4-5-6-7-12-22(2)20(26)23-13-14-24(18(15-23)19(25)29-3)30(27,28)17-10-8-16(21)9-11-17/h8-11,18H,4-7,12-15H2,1-3H3