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

Systemtic Name: (phenylmethyl) 2-[[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]amino]naphthalene-1-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C35H33N3O5S MolecularWeight: 607.71862

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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)OCC6=CC=CC=C6

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)OCC6=CC=CC=C6

InChI

InChI=1S/C35H33N3O5S/c1-25(34(39)37-19-21-38(22-20-37)44(41,42)30-17-15-27-11-5-6-13-29(27)23-30)36-32-18-16-28-12-7-8-14-31(28)33(32)35(40)43-24-26-9-3-2-4-10-26/h2-18,23,25,36H,19-22,24H2,1H3