tert-butyl 5-bromanyl-2-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonyl-benzoate

Systemtic Name: tert-butyl 5-bromanyl-2-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonyl-benzoate Openeye Name: tert-butyl 5-bromo-2-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]benzoate CAS Name: 5-bromo-2-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-oxomethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 5-bromo-2-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]benzoic acid tert-butyl ester Formula: C26H26BrClN2O5S MolecularWeight: 593.91704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Br)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Br)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C26H26BrClN2O5S/c1-26(2,3)35-25(32)23-16-19(27)6-9-22(23)24(31)29-10-12-30(13-11-29)36(33,34)21-8-5-17-14-20(28)7-4-18(17)15-21/h4-9,14-16H,10-13H2,1-3H3