ditert-butyl 4-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl]piperazine-1,3-dicarboxylate

Systemtic Name: ditert-butyl 4-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl]piperazine-1,3-dicarboxylate Openeye Name: ditert-butyl 4-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]piperazine-1,3-dicarboxylate CAS Name: 4-[3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-oxopropyl]piperazine-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazine-1,3-dicarboxylate Traditional Name: 4-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]piperazine-1,3-dicarboxylic acid ditert-butyl ester Formula: C27H35ClN2O7S MolecularWeight: 567.094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CCN1C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(CCN1C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H35ClN2O7S/c1-26(2,3)36-24(32)22-17-29(25(33)37-27(4,5)6)12-13-30(22)23(31)11-14-38(34,35)21-10-8-18-15-20(28)9-7-19(18)16-21/h7-10,15-16,22H,11-14,17H2,1-6H3