1-(4-methoxyphenyl)sulfonyl-3-[(2-nitrophenyl)methylsulfonylamino]-2,3,4,7-tetrahydroazepine-2-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-3-[(2-nitrophenyl)methylsulfonylamino]-2,3,4,7-tetrahydroazepine-2-carboxylic acid Openeye Name: 1-(4-methoxyphenyl)sulfonyl-3-[(2-nitrophenyl)methylsulfonylamino]-2,3,4,7-tetrahydroazepine-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-[(2-nitrophenyl)methylsulfonylamino]-2,3,4,7-tetrahydroazepine-2-carboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-3-[(2-nitrophenyl)methylsulfonylamino]-2,3,4,7-tetrahydroazepine-2-carboxylic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-3-[(2-nitrobenzyl)sulfonylamino]-2,3,4,7-tetrahydroazepine-2-carboxylic acid Formula: C21H23N3O9S2 MolecularWeight: 525.55202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)O)NS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)O)NS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O9S2/c1-33-16-9-11-17(12-10-16)35(31,32)23-13-5-4-7-18(20(23)21(25)26)22-34(29,30)14-15-6-2-3-8-19(15)24(27)28/h2-6,8-12,18,20,22H,7,13-14H2,1H3,(H,25,26)