tert-butyl 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 3-[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)piperidine-1-carboxylate Traditional Name: 3-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H33N3O5S/c1-25(2,3)33-24(30)27-12-6-9-21(18-27)23(29)26-13-15-28(16-14-26)34(31,32)22-11-10-19-7-4-5-8-20(19)17-22/h4-5,7-8,10-11,17,21H,6,9,12-16,18H2,1-3H3