[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [1-methyl-2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [1-[(3-methyl-5-isoxazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [2-keto-1-methyl-2-[(3-methylisoxazol-5-yl)amino]ethyl] ester Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1=NOC(=C1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H27N3O7S/c1-14-12-19(31-23-14)22-20(25)15(2)30-21(26)17-13-16(8-9-18(17)29-3)32(27,28)24-10-6-4-5-7-11-24/h8-9,12-13,15H,4-7,10-11H2,1-3H3,(H,22,25)