[4-(methylcarbamoyl)phenyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [4-(methylcarbamoyl)phenyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [4-(methylcarbamoyl)phenyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [4-(methylcarbamoyl)phenyl] ester IUPAC Name: [4-(methylcarbamoyl)phenyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [4-(methylcarbamoyl)phenyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H23ClN2O5S/c1-23-20(25)15-6-9-17(10-7-15)29-21(26)16-8-11-18(22)19(14-16)30(27,28)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,23,25)