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1-(4-methoxyphenyl)sulfonyl-3-(phenylcarbonyl)-2,3,4,7-tetrahydroazepine-2-carboxylic acid

1-(4-methoxyphenyl)sulfonyl-3-(phenylcarbonyl)-2,3,4,7-tetrahydroazepine-2-carboxylic acid

Systemtic Name:1-(4-methoxyphenyl)sulfonyl-3-(phenylcarbonyl)-2,3,4,7-tetrahydroazepine-2-carboxylic acid
Openeye Name:3-benzoyl-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid
CAS Name:3-benzoyl-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid
IUPAC Name:3-benzoyl-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid
Traditional Name:3-benzoyl-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid
Formula: C21H21NO6S
MolecularWeight: 415.45954
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)O)C(=O)C3=CC=CC=C3


Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)O)C(=O)C3=CC=CC=C3


InChI

InChI=1S/C21H21NO6S/c1-28-16-10-12-17(13-11-16)29(26,27)22-14-6-5-9-18(19(22)21(24)25)20(23)15-7-3-2-4-8-15/h2-8,10-13,18-19H,9,14H2,1H3,(H,24,25)


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