6-(azepan-1-ylsulfonyl)-3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-(azepan-1-ylsulfonyl)-3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 6-(azepan-1-ylsulfonyl)-3-[2-(4-chlorophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 6-(1-azepanylsulfonyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 6-(azepan-1-ylsulfonyl)-3-[2-(4-chlorophenyl)-2-keto-ethyl]-1,3-benzoxazol-2-one Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O5S/c22-16-7-5-15(6-8-16)19(25)14-24-18-10-9-17(13-20(18)29-21(24)26)30(27,28)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,14H2