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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methylphenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(m-tolyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(3-methylphenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methylphenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(m-tolyl)prop-2-en-1-one Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H25NO3S/c1-18-7-6-8-19(17-18)9-14-22(24)20-10-12-21(13-11-20)27(25,26)23-15-4-2-3-5-16-23/h6-14,17H,2-5,15-16H2,1H3