2-phenoxyethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: 2-phenoxyethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: 2-phenoxyethyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid 2-phenoxyethyl ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCOC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCOC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H24ClNO5S/c22-19-11-10-17(21(24)28-15-14-27-18-8-4-3-5-9-18)16-20(19)29(25,26)23-12-6-1-2-7-13-23/h3-5,8-11,16H,1-2,6-7,12-15H2