tert-butyl 4-[(2S)-1-[2-(phenylsulfonyl)ethyl]piperazin-2-yl]carbonylnaphthalene-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-1-[2-(phenylsulfonyl)ethyl]piperazin-2-yl]carbonylnaphthalene-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-1-[2-(benzenesulfonyl)ethyl]piperazine-2-carbonyl]naphthalene-1-carboxylate CAS Name: 4-[[(2S)-1-[2-(benzenesulfonyl)ethyl]-2-piperazinyl]-oxomethyl]-1-naphthalenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-1-[2-(benzenesulfonyl)ethyl]piperazine-2-carbonyl]naphthalene-1-carboxylate Traditional Name: 4-[(2S)-1-(2-besylethyl)piperazine-2-carbonyl]naphthalene-1-carboxylic acid tert-butyl ester Formula: C28H32N2O5S MolecularWeight: 508.62908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C2=CC=CC=C21)C(=O)C3CNCCN3CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C2=CC=CC=C21)C(=O)[C@@H]3CNCCN3CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H32N2O5S/c1-28(2,3)35-27(32)24-14-13-23(21-11-7-8-12-22(21)24)26(31)25-19-29-15-16-30(25)17-18-36(33,34)20-9-5-4-6-10-20/h4-14,25,29H,15-19H2,1-3H3/t25-/m0/s1