tert-butyl 1-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonylphenyl]piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonylphenyl]piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]phenyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-oxomethyl]phenyl]-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-[4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]phenyl]piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C30H36ClN4O5S+ MolecularWeight: 600.14864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C30H36ClN4O5S/c1-30(2,3)40-29(37)35(18-12-32-13-19-35)26-9-5-22(6-10-26)28(36)33-14-16-34(17-15-33)41(38,39)27-11-7-23-20-25(31)8-4-24(23)21-27/h4-11,20-21,32H,12-19H2,1-3H3/q+1