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

Systemtic Name: phenyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: phenyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid phenyl ester IUPAC Name: phenyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid phenyl ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H20ClNO4S/c20-17-11-10-15(19(22)25-16-8-4-3-5-9-16)14-18(17)26(23,24)21-12-6-1-2-7-13-21/h3-5,8-11,14H,1-2,6-7,12-13H2