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

Systemtic Name: cyanomethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: cyanomethyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid cyanomethyl ester Formula: C15H17ClN2O4S MolecularWeight: 356.82448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC#N)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC#N)Cl

InChI

InChI=1S/C15H17ClN2O4S/c16-13-6-5-12(15(19)22-10-7-17)11-14(13)23(20,21)18-8-3-1-2-4-9-18/h5-6,11H,1-4,8-10H2