tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-(2-hydroxyethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-(2-hydroxyethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-2-naphthyl)sulfonyl]-2-(2-hydroxyethyl)piperazine-1-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-(2-hydroxyethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonyl-2-(2-hydroxyethyl)piperazine-1-carboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-2-(2-hydroxyethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27ClN2O5S MolecularWeight: 454.96748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CCO)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1CCO)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN2O5S/c1-21(2,3)29-20(26)24-10-9-23(14-18(24)8-11-25)30(27,28)19-7-5-15-12-17(22)6-4-16(15)13-19/h4-7,12-13,18,25H,8-11,14H2,1-3H3