tert-butyl 2-[[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]amino]naphthalene-1-carboxylate

Systemtic Name: tert-butyl 2-[[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]amino]naphthalene-1-carboxylate Openeye Name: tert-butyl 2-[[1-methyl-2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]amino]naphthalene-1-carboxylate CAS Name: 2-[[1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]amino]-1-naphthalenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]amino]naphthalene-1-carboxylate Traditional Name: 2-[[2-keto-1-methyl-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]amino]naphthalene-1-carboxylic acid tert-butyl ester Formula: C32H35N3O5S MolecularWeight: 573.7024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC4=C(C5=CC=CC=C5C=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC4=C(C5=CC=CC=C5C=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H35N3O5S/c1-22(33-28-16-14-24-10-7-8-12-27(24)29(28)31(37)40-32(2,3)4)30(36)34-17-19-35(20-18-34)41(38,39)26-15-13-23-9-5-6-11-25(23)21-26/h5-16,21-22,33H,17-20H2,1-4H3