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

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (2-cumidino-2-keto-ethyl) ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O6S/c1-18(2)19-8-11-21(12-9-19)26-24(28)17-33-25(29)20-10-13-22(32-3)23(16-20)34(30,31)27-14-6-4-5-7-15-27/h8-13,16,18H,4-7,14-15,17H2,1-3H3,(H,26,28)