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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-chlorophenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-chlorophenyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(2-chlorophenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-chlorophenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-chlorophenyl)prop-2-en-1-one Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClNO3S/c22-20-8-4-3-7-17(20)11-14-21(24)18-9-12-19(13-10-18)27(25,26)23-15-5-1-2-6-16-23/h3-4,7-14H,1-2,5-6,15-16H2