[2-(6-methoxynaphthalen-2-yl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(6-methoxynaphthalen-2-yl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(6-methoxy-2-naphthyl)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-(6-methoxy-2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(6-methoxy-2-naphthyl)ethyl] ester Formula: C26H27NO6S MolecularWeight: 481.56068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H27NO6S/c1-32-23-12-11-19-15-21(10-9-20(19)16-23)25(28)18-33-26(29)22-7-6-8-24(17-22)34(30,31)27-13-4-2-3-5-14-27/h6-12,15-17H,2-5,13-14,18H2,1H3