ethyl (2R)-4-(4-bromophenyl)sulfonyl-1-[[1-(3-chloranylpyridin-4-yl)piperidin-4-yl]methyl]-6-oxidanylidene-piperazine-2-carboxylate

Systemtic Name: ethyl (2R)-4-(4-bromophenyl)sulfonyl-1-[[1-(3-chloranylpyridin-4-yl)piperidin-4-yl]methyl]-6-oxidanylidene-piperazine-2-carboxylate Openeye Name: ethyl (2R)-4-(4-bromophenyl)sulfonyl-1-[[1-(3-chloro-4-pyridyl)-4-piperidyl]methyl]-6-oxo-piperazine-2-carboxylate CAS Name: (2R)-4-(4-bromophenyl)sulfonyl-1-[[1-(3-chloro-4-pyridinyl)-4-piperidinyl]methyl]-6-oxo-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-4-(4-bromophenyl)sulfonyl-1-[[1-(3-chloropyridin-4-yl)piperidin-4-yl]methyl]-6-oxopiperazine-2-carboxylate Traditional Name: (2R)-4-brosyl-1-[[1-(3-chloro-4-pyridyl)-4-piperidyl]methyl]-6-keto-piperazine-2-carboxylic acid ethyl ester Formula: C24H28BrClN4O5S MolecularWeight: 599.92492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CC(=O)N1CC2CCN(CC2)C3=C(C=NC=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)[C@H]1CN(CC(=O)N1CC2CCN(CC2)C3=C(C=NC=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H28BrClN4O5S/c1-2-35-24(32)22-15-29(36(33,34)19-5-3-18(25)4-6-19)16-23(31)30(22)14-17-8-11-28(12-9-17)21-7-10-27-13-20(21)26/h3-7,10,13,17,22H,2,8-9,11-12,14-16H2,1H3/t22-/m1/s1