1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-ethoxy-4-methoxy-phenyl)prop-2-en-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-ethoxy-4-methoxy-phenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-ethoxy-4-methoxy-phenyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-ethoxy-4-methoxy-phenyl)prop-2-en-1-one Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H29NO5S/c1-3-30-24-18-19(9-15-23(24)29-2)8-14-22(26)20-10-12-21(13-11-20)31(27,28)25-16-6-4-5-7-17-25/h8-15,18H,3-7,16-17H2,1-2H3