[2-ethyl-4-[[5-methyl-4-[methyl(propylsulfonyl)amino]-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]pyrazol-3-yl] propane-1-sulfonate

Systemtic Name: [2-ethyl-4-[[5-methyl-4-[methyl(propylsulfonyl)amino]-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]pyrazol-3-yl] propane-1-sulfonate Openeye Name: [2-ethyl-4-[5-methyl-4-[methyl(propylsulfonyl)amino]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl]pyrazol-3-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [2-ethyl-4-[5-methyl-4-[methyl(propylsulfonyl)amino]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl]pyrazol-3-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-[1,1-diketo-5-methyl-4-[methyl(propylsulfonyl)amino]-3,4-dihydro-2H-thiochromene-6-carbonyl]-2-ethyl-pyrazol-3-yl] ester Formula: C23H33N3O8S3 MolecularWeight: 575.71842

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(C)C1CCS(=O)(=O)C2=C1C(=C(C=C2)C(=O)C3=C(N(N=C3)CC)OS(=O)(=O)CCC)C

Isomeric SMILES

CCCS(=O)(=O)N(C)C1CCS(=O)(=O)C2=C1C(=C(C=C2)C(=O)C3=C(N(N=C3)CC)OS(=O)(=O)CCC)C

InChI

InChI=1S/C23H33N3O8S3/c1-6-12-36(30,31)25(5)19-11-14-35(28,29)20-10-9-17(16(4)21(19)20)22(27)18-15-24-26(8-3)23(18)34-37(32,33)13-7-2/h9-10,15,19H,6-8,11-14H2,1-5H3