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3-(3,4,5,5a-tetrahydro-2-benzazepin-2-yl)propane-1-sulfonate

3-(3,4,5,5a-tetrahydro-2-benzazepin-2-yl)propane-1-sulfonate

Systemtic Name:3-(3,4,5,5a-tetrahydro-2-benzazepin-2-yl)propane-1-sulfonate
Openeye Name:3-(3,4,5,5a-tetrahydro-2-benzazepin-2-yl)propane-1-sulfonate
CAS Name:3-(3,4,5,5a-tetrahydro-2-benzazepin-2-yl)-1-propanesulfonate
IUPAC Name:3-(3,4,5,5a-tetrahydro-2-benzazepin-2-yl)propane-1-sulfonate
Traditional Name:3-(3,4,5,5a-tetrahydro-2-benzazepin-2-yl)propane-1-sulfonate
Formula: C13H18NO3S-
MolecularWeight: 268.35192
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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C=CC=CC2=CN(C1)CCCS(=O)(=O)[O-]


Isomeric SMILES

C1CC2C=CC=CC2=CN(C1)CCCS(=O)(=O)[O-]


InChI

InChI=1S/C13H19NO3S/c15-18(16,17)10-4-9-14-8-3-7-12-5-1-2-6-13(12)11-14/h1-2,5-6,11-12H,3-4,7-10H2,(H,15,16,17)/p-1


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