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2-(phenethylcarbamoyl)benzenesulfinate; 2-phenylethanamine

2-(phenethylcarbamoyl)benzenesulfinate; 2-phenylethanamine

Systemtic Name:2-(phenethylcarbamoyl)benzenesulfinate; 2-phenylethanamine
Openeye Name:2-(phenethylcarbamoyl)benzenesulfinate; 2-phenylethanamine
CAS Name:2-[oxo-(phenethylamino)methyl]benzenesulfinate; 2-phenylethanamine
IUPAC Name:2-(phenethylcarbamoyl)benzenesulfinate; 2-phenylethanamine
Traditional Name:phenethylamine; 2-(phenethylcarbamoyl)benzenesulfinate
Formula: C23H25N2O3S-
MolecularWeight: 409.5212
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2S(=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2S(=O)[O-]


InChI

InChI=1S/C15H15NO3S.C8H11N/c17-15(13-8-4-5-9-14(13)20(18)19)16-11-10-12-6-2-1-3-7-12;9-7-6-8-4-2-1-3-5-8/h1-9H,10-11H2,(H,16,17)(H,18,19);1-5H,6-7,9H2/p-1


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