methyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(2-naphthylsulfonyl)piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[4-(2-naphthylsulfonyl)piperazino]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H24N4O5S/c1-34-25(31)19-7-9-21-22(15-19)26-23(27-24(21)30)16-28-10-12-29(13-11-28)35(32,33)20-8-6-17-4-2-3-5-18(17)14-20/h2-9,14-15H,10-13,16H2,1H3,(H,26,27,30)