methyl 3-oxidanyl-4-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]naphthalene-2-carboxylate

Systemtic Name: methyl 3-oxidanyl-4-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]naphthalene-2-carboxylate Openeye Name: methyl 4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate CAS Name: 3-hydroxy-4-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylate Traditional Name: 4-[(4-benzylsulfonylpiperazino)methyl]-3-hydroxy-naphthalene-2-carboxylic acid methyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O5S/c1-31-24(28)21-15-19-9-5-6-10-20(19)22(23(21)27)16-25-11-13-26(14-12-25)32(29,30)17-18-7-3-2-4-8-18/h2-10,15,27H,11-14,16-17H2,1H3