ethyl 2-[4-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(4-bromo-3-methyl-phenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetate CAS Name: 2-[4-[(4-bromo-3-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(4-bromo-3-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetate Traditional Name: 2-[4-[(4-bromo-3-methyl-phenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid ethyl ester Formula: C18H22BrN3O4S MolecularWeight: 456.35398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=N1)C(CCC2)NS(=O)(=O)C3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=N1)C(CCC2)NS(=O)(=O)C3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C18H22BrN3O4S/c1-3-26-18(23)11-22-17-6-4-5-16(14(17)10-20-22)21-27(24,25)13-7-8-15(19)12(2)9-13/h7-10,16,21H,3-6,11H2,1-2H3