tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-3,3-dimethyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-3,3-dimethyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-2-naphthyl)sulfonyl]-3,3-dimethyl-piperazine-1-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-3,3-dimethyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonyl-3,3-dimethylpiperazine-1-carboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-3,3-dimethyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H27ClN2O4S/c1-20(2,3)28-19(25)23-10-11-24(21(4,5)14-23)29(26,27)18-9-7-15-12-17(22)8-6-16(15)13-18/h6-9,12-13H,10-11,14H2,1-5H3