tert-butyl 1-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl]-4-(2-methylpyridin-4-yl)piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl]-4-(2-methylpyridin-4-yl)piperazine-2-carboxylate Openeye Name: tert-butyl 1-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]-4-(2-methyl-4-pyridyl)piperazine-2-carboxylate CAS Name: 1-[3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-oxopropyl]-4-(2-methyl-4-pyridinyl)-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]-4-(2-methylpyridin-4-yl)piperazine-2-carboxylate Traditional Name: 1-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]-4-(2-methyl-4-pyridyl)piperazine-2-carboxylic acid tert-butyl ester Formula: C28H32ClN3O5S MolecularWeight: 558.08878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N2CCN(C(C2)C(=O)OC(C)(C)C)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC1=NC=CC(=C1)N2CCN(C(C2)C(=O)OC(C)(C)C)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C28H32ClN3O5S/c1-19-15-23(9-11-30-19)31-12-13-32(25(18-31)27(34)37-28(2,3)4)26(33)10-14-38(35,36)24-8-6-20-16-22(29)7-5-21(20)17-24/h5-9,11,15-17,25H,10,12-14,18H2,1-4H3