[2-(6-methoxynaphthalen-2-yl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-(6-methoxynaphthalen-2-yl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(6-methoxy-2-naphthyl)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-(6-methoxy-2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-keto-2-(6-methoxy-2-naphthyl)ethyl] ester Formula: C26H26ClNO6S MolecularWeight: 516.00574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClNO6S/c1-33-22-10-8-18-14-20(7-6-19(18)15-22)24(29)17-34-26(30)21-9-11-23(27)25(16-21)35(31,32)28-12-4-2-3-5-13-28/h6-11,14-16H,2-5,12-13,17H2,1H3