methyl 3-[4-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonyl)piperazin-1-yl]sulfonyl-4-methyl-benzoate

Systemtic Name: methyl 3-[4-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonyl)piperazin-1-yl]sulfonyl-4-methyl-benzoate Openeye Name: methyl 3-[4-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonyl)piperazin-1-yl]sulfonyl-4-methyl-benzoate CAS Name: 3-[[4-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonyl)-1-piperazinyl]sulfonyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonyl)piperazin-1-yl]sulfonyl-4-methylbenzoate Traditional Name: 4-methyl-3-(4-piazthiol-4-ylsulfonylpiperazino)sulfonyl-benzoic acid methyl ester Formula: C19H20N4O6S3 MolecularWeight: 496.5803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=S=N4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=S=N4

InChI

InChI=1S/C19H20N4O6S3/c1-13-6-7-14(19(24)29-2)12-17(13)32(27,28)23-10-8-22(9-11-23)31(25,26)16-5-3-4-15-18(16)21-30-20-15/h3-7,12H,8-11H2,1-2H3