ethyl 4-(6-bromanylnaphthalen-2-yl)sulfonyl-1-(phenylmethyl)piperazine-2-carboxylate

Systemtic Name: ethyl 4-(6-bromanylnaphthalen-2-yl)sulfonyl-1-(phenylmethyl)piperazine-2-carboxylate Openeye Name: ethyl 1-benzyl-4-[(6-bromo-2-naphthyl)sulfonyl]piperazine-2-carboxylate CAS Name: 4-[(6-bromo-2-naphthalenyl)sulfonyl]-1-(phenylmethyl)-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(6-bromonaphthalen-2-yl)sulfonylpiperazine-2-carboxylate Traditional Name: 1-benzyl-4-[(6-bromo-2-naphthyl)sulfonyl]piperazine-2-carboxylic acid ethyl ester Formula: C24H25BrN2O4S MolecularWeight: 517.4353

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Br

InChI

InChI=1S/C24H25BrN2O4S/c1-2-31-24(28)23-17-27(13-12-26(23)16-18-6-4-3-5-7-18)32(29,30)22-11-9-19-14-21(25)10-8-20(19)15-22/h3-11,14-15,23H,2,12-13,16-17H2,1H3