4-(furan-3-ylcarbonyl)-4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ium-3-carboxylic acid

Systemtic Name: 4-(furan-3-ylcarbonyl)-4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ium-3-carboxylic acid Openeye Name: 4-(furan-3-carbonyl)-4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ium-3-carboxylic acid CAS Name: 4-[3-furanyl(oxo)methyl]-4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ium-3-carboxylic acid IUPAC Name: 4-(furan-3-carbonyl)-4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ium-3-carboxylic acid Traditional Name: 4-(3-furoyl)-4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ium-3-carboxylic acid Formula: C22H21N2O7S+ MolecularWeight: 457.47634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)[N+]2(CC3=CC=CC=C3NCC2C(=O)O)C(=O)C4=COC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)[N+]2(CC3=CC=CC=C3NCC2C(=O)O)C(=O)C4=COC=C4

InChI

InChI=1S/C22H20N2O7S/c1-30-17-6-8-18(9-7-17)32(28,29)24(21(25)16-10-11-31-14-16)13-15-4-2-3-5-19(15)23-12-20(24)22(26)27/h2-11,14,20,23H,12-13H2,1H3/p+1