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

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H28N2O6S/c1-33-23-14-13-20(17-24(23)35(31,32)28-15-6-2-3-7-16-28)26(30)34-18-25(29)27-22-12-8-10-19-9-4-5-11-21(19)22/h4-5,8-14,17H,2-3,6-7,15-16,18H2,1H3,(H,27,29)