benzotriazol-1-yl 2-methyl-3-phenethylsulfonyl-propanoate

Systemtic Name: benzotriazol-1-yl 2-methyl-3-phenethylsulfonyl-propanoate Openeye Name: benzotriazol-1-yl 2-methyl-3-phenethylsulfonyl-propanoate CAS Name: 2-methyl-3-phenethylsulfonylpropanoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 2-methyl-3-phenethylsulfonylpropanoate Traditional Name: 2-methyl-3-phenethylsulfonyl-propionic acid benzotriazol-1-yl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)CCC1=CC=CC=C1)C(=O)ON2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(CS(=O)(=O)CCC1=CC=CC=C1)C(=O)ON2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H19N3O4S/c1-14(13-26(23,24)12-11-15-7-3-2-4-8-15)18(22)25-21-17-10-6-5-9-16(17)19-20-21/h2-10,14H,11-13H2,1H3