1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethylisoxazol-4-yl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(3,5-dimethyl-4-isoxazolyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethylisoxazol-4-yl)prop-2-en-1-one Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H24N2O4S/c1-15-19(16(2)26-21-15)11-12-20(23)17-7-9-18(10-8-17)27(24,25)22-13-5-3-4-6-14-22/h7-12H,3-6,13-14H2,1-2H3