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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-isopentyloxyphenyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-[4-(3-methylbutoxy)phenyl]-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-isoamoxyphenyl)prop-2-en-1-one Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO4S/c1-21(2)17-20-31-24-12-7-22(8-13-24)9-16-26(28)23-10-14-25(15-11-23)32(29,30)27-18-5-3-4-6-19-27/h7-16,21H,3-6,17-20H2,1-2H3