tert-butyl 3-[3-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonylphenoxy]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[3-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonylphenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[3-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[3-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-oxomethyl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[3-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C30H34ClN3O6S MolecularWeight: 600.12546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=CC(=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)N1CCC(C1)OC2=CC=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C30H34ClN3O6S/c1-30(2,3)40-29(36)33-12-11-26(20-33)39-25-6-4-5-23(18-25)28(35)32-13-15-34(16-14-32)41(37,38)27-10-8-21-17-24(31)9-7-22(21)19-27/h4-10,17-19,26H,11-16,20H2,1-3H3