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

Systemtic Name: 1-cyanoethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: 1-cyanoethyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid 1-cyanoethyl ester Formula: C16H19ClN2O4S MolecularWeight: 370.85106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C#N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H19ClN2O4S/c1-12(11-18)23-16(20)13-6-7-14(17)15(10-13)24(21,22)19-8-4-2-3-5-9-19/h6-7,10,12H,2-5,8-9H2,1H3