tert-butyl 2-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonyl-5-pyridin-4-yl-benzoate

Systemtic Name: tert-butyl 2-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonyl-5-pyridin-4-yl-benzoate Openeye Name: tert-butyl 2-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]-5-(4-pyridyl)benzoate CAS Name: 2-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-5-pyridin-4-ylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]-5-pyridin-4-ylbenzoate Traditional Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]-5-(4-pyridyl)benzoic acid tert-butyl ester Formula: C31H30ClN3O5S MolecularWeight: 592.105

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H30ClN3O5S/c1-31(2,3)40-30(37)28-20-24(21-10-12-33-13-11-21)6-9-27(28)29(36)34-14-16-35(17-15-34)41(38,39)26-8-5-22-18-25(32)7-4-23(22)19-26/h4-13,18-20H,14-17H2,1-3H3