ethyl 4-(4-methylphenyl)sulfonyl-7-(4-phenylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)sulfonyl-7-(4-phenylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 7-(4-phenylpiperazin-1-yl)sulfonyl-4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: 4-(4-methylphenyl)sulfonyl-7-[(4-phenyl-1-piperazinyl)sulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)sulfonyl-7-(4-phenylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: 7-(4-phenylpiperazino)sulfonyl-4-tosyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C28H31N3O7S2 MolecularWeight: 585.69164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(C2=C(O1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1CN(C2=C(O1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H31N3O7S2/c1-3-37-28(32)27-20-31(40(35,36)23-11-9-21(2)10-12-23)25-14-13-24(19-26(25)38-27)39(33,34)30-17-15-29(16-18-30)22-7-5-4-6-8-22/h4-14,19,27H,3,15-18,20H2,1-2H3