(phenylmethyl) 2-[[1-(3-butyl-4-naphthalen-2-ylsulfonyl-piperazin-1-yl)-1-oxidanylidene-propan-2-yl]amino]naphthalene-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[1-(3-butyl-4-naphthalen-2-ylsulfonyl-piperazin-1-yl)-1-oxidanylidene-propan-2-yl]amino]naphthalene-1-carboxylate Openeye Name: benzyl 2-[[2-[3-butyl-4-(2-naphthylsulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]amino]naphthalene-1-carboxylate CAS Name: 2-[[1-[3-butyl-4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]amino]-1-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-(3-butyl-4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]amino]naphthalene-1-carboxylate Traditional Name: 2-[[2-[3-butyl-4-(2-naphthylsulfonyl)piperazino]-2-keto-1-methyl-ethyl]amino]naphthalene-1-carboxylic acid benzyl ester Formula: C39H41N3O5S MolecularWeight: 663.82494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(C)NC4=C(C5=CC=CC=C5C=C4)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CCCCC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(C)NC4=C(C5=CC=CC=C5C=C4)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C39H41N3O5S/c1-3-4-17-33-26-41(23-24-42(33)48(45,46)34-21-19-30-14-8-9-16-32(30)25-34)38(43)28(2)40-36-22-20-31-15-10-11-18-35(31)37(36)39(44)47-27-29-12-6-5-7-13-29/h5-16,18-22,25,28,33,40H,3-4,17,23-24,26-27H2,1-2H3