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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(5-methyl-2-thienyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(5-methyl-2-thiophenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(5-methyl-2-thienyl)prop-2-en-1-one Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(S1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23NO3S2/c1-16-6-9-18(25-16)10-13-20(22)17-7-11-19(12-8-17)26(23,24)21-14-4-2-3-5-15-21/h6-13H,2-5,14-15H2,1H3