1-(4-methoxyphenyl)sulfonyl-3-[[(E)-2-phenylethenyl]sulfonylamino]-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-3-[[(E)-2-phenylethenyl]sulfonylamino]-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid Openeye Name: 1-(4-methoxyphenyl)sulfonyl-3-[[(E)-styryl]sulfonylamino]-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-[[(E)-2-phenylethenyl]sulfonylamino]-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-3-[[(E)-2-phenylethenyl]sulfonylamino]-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-3-[[(E)-styryl]sulfonylamino]-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid Formula: C21H23N3O7S2 MolecularWeight: 493.55322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCN(C2C(=O)O)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCN(C2C(=O)O)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O7S2/c1-31-18-9-11-19(12-10-18)33(29,30)24-15-6-5-14-23(20(24)21(25)26)22-32(27,28)16-13-17-7-3-2-4-8-17/h2-13,16,20,22H,14-15H2,1H3,(H,25,26)/b16-13+