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2-[4-(3-ethoxypropoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid

2-[4-(3-ethoxypropoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name:2-[4-(3-ethoxypropoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid
Openeye Name:2-[4-(3-ethoxypropoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid
CAS Name:2-[4-(3-ethoxypropoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid
IUPAC Name:2-[4-(3-ethoxypropoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid
Traditional Name:2-[4-(3-ethoxypropoxy)phenyl]-1-mesyl-2,3-dihydro-1-benzazepine-4-carboxylic acid
Formula: C23H27NO6S
MolecularWeight: 445.52858
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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2S(=O)(=O)C)C(=O)O


Isomeric SMILES

CCOCCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2S(=O)(=O)C)C(=O)O


InChI

InChI=1S/C23H27NO6S/c1-3-29-13-6-14-30-20-11-9-17(10-12-20)22-16-19(23(25)26)15-18-7-4-5-8-21(18)24(22)31(2,27)28/h4-5,7-12,15,22H,3,6,13-14,16H2,1-2H3,(H,25,26)


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