(E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanylsulfonyl)phenyl]-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)prop-2-en-1-one Formula: C25H26ClNO5S MolecularWeight: 487.99564

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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)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl)OCC#C

InChI

InChI=1S/C25H26ClNO5S/c1-3-16-32-25-22(26)17-19(18-24(25)31-2)8-13-23(28)20-9-11-21(12-10-20)33(29,30)27-14-6-4-5-7-15-27/h1,8-13,17-18H,4-7,14-16H2,2H3/b13-8+