ethyl 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H24BrN3O5S MolecularWeight: 498.39066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C20H24BrN3O5S/c1-4-29-20(26)18-13(2)17(14(3)22-18)19(25)23-8-10-24(11-9-23)30(27,28)16-7-5-6-15(21)12-16/h5-7,12,22H,4,8-11H2,1-3H3