propan-2-yl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: propan-2-yl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: isopropyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid isopropyl ester Formula: C16H22ClNO4S MolecularWeight: 359.86818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClNO4S/c1-12(2)22-16(19)13-7-8-14(17)15(11-13)23(20,21)18-9-5-3-4-6-10-18/h7-8,11-12H,3-6,9-10H2,1-2H3