[(1R)-1-(2-chlorophenyl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [(1R)-1-(2-chlorophenyl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [(1R)-1-(2-chlorophenyl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [(1R)-1-(2-chlorophenyl)ethyl] ester IUPAC Name: [(1R)-1-(2-chlorophenyl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [(1R)-1-(2-chlorophenyl)ethyl] ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@H](C1=CC=CC=C1Cl)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24ClNO4S/c1-16(19-11-4-5-12-20(19)22)27-21(24)17-9-8-10-18(15-17)28(25,26)23-13-6-2-3-7-14-23/h4-5,8-12,15-16H,2-3,6-7,13-14H2,1H3/t16-/m1/s1