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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-ethoxyphenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-ethoxyphenyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(2-ethoxyphenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-ethoxyphenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-o-phenetyl-prop-2-en-1-one Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27NO4S/c1-2-28-23-10-6-5-9-20(23)13-16-22(25)19-11-14-21(15-12-19)29(26,27)24-17-7-3-4-8-18-24/h5-6,9-16H,2-4,7-8,17-18H2,1H3