(3-chlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (3-chlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3-chlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (3-chlorobenzyl) ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO4S/c21-18-7-5-6-16(14-18)15-26-20(23)17-8-10-19(11-9-17)27(24,25)22-12-3-1-2-4-13-22/h5-11,14H,1-4,12-13,15H2