1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-en-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(3-chloro-4,5-dimethoxyphenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-en-1-one Formula: C23H26ClNO5S MolecularWeight: 463.97424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl)OC

InChI

InChI=1S/C23H26ClNO5S/c1-29-22-16-17(15-20(24)23(22)30-2)7-12-21(26)18-8-10-19(11-9-18)31(27,28)25-13-5-3-4-6-14-25/h7-12,15-16H,3-6,13-14H2,1-2H3