methyl 4-chloranyl-3-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)benzoate

Systemtic Name: methyl 4-chloranyl-3-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)benzoate Openeye Name: methyl 4-chloro-3-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)benzoate CAS Name: 4-chloro-3-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)benzoic acid methyl ester Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC3=CC=CC=C32

InChI

InChI=1S/C18H18ClNO4S/c1-24-18(21)14-9-10-15(19)17(12-14)25(22,23)20-11-5-4-7-13-6-2-3-8-16(13)20/h2-3,6,8-10,12H,4-5,7,11H2,1H3