[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H32N2O6S/c1-32-22-14-13-21(18-23(22)34(30,31)27-16-7-2-3-8-17-27)25(29)33-19-24(28)26-15-9-12-20-10-5-4-6-11-20/h4-6,10-11,13-14,18H,2-3,7-9,12,15-17,19H2,1H3,(H,26,28)