(2-naphthalen-1-yl-2-oxidanylidene-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C25H24ClNO5S MolecularWeight: 485.97976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C25H24ClNO5S/c26-22-13-12-19(16-24(22)33(30,31)27-14-5-1-2-6-15-27)25(29)32-17-23(28)21-11-7-9-18-8-3-4-10-20(18)21/h3-4,7-13,16H,1-2,5-6,14-15,17H2