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

Systemtic Name: tert-butyl 4-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonylphenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-oxomethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H35ClN4O5S MolecularWeight: 599.1407

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)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)N1CCN(CC1)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/C30H35ClN4O5S/c1-30(2,3)40-29(37)34-14-12-32(13-15-34)26-9-5-22(6-10-26)28(36)33-16-18-35(19-17-33)41(38,39)27-11-7-23-20-25(31)8-4-24(23)21-27/h4-11,20-21H,12-19H2,1-3H3