(phenylmethyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (phenylmethyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: benzyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid benzyl ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H22ClNO4S/c21-18-11-10-17(20(23)26-15-16-8-4-3-5-9-16)14-19(18)27(24,25)22-12-6-1-2-7-13-22/h3-5,8-11,14H,1-2,6-7,12-13,15H2