[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C22H30N4O6S MolecularWeight: 478.5618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H30N4O6S/c1-16(2)26-20(10-11-23-26)24-21(27)15-32-22(28)17-8-9-18(31-3)19(14-17)33(29,30)25-12-6-4-5-7-13-25/h8-11,14,16H,4-7,12-13,15H2,1-3H3,(H,24,27)