azepan-1-yl-[4-(phenylsulfonyl)phenyl]methanone

Systemtic Name: azepan-1-yl-[4-(phenylsulfonyl)phenyl]methanone Openeye Name: azepan-1-yl-[4-(benzenesulfonyl)phenyl]methanone CAS Name: 1-azepanyl-[4-(benzenesulfonyl)phenyl]methanone IUPAC Name: azepan-1-yl-[4-(benzenesulfonyl)phenyl]methanone Traditional Name: azepan-1-yl-(4-besylphenyl)methanone Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21NO3S/c21-19(20-14-6-1-2-7-15-20)16-10-12-18(13-11-16)24(22,23)17-8-4-3-5-9-17/h3-5,8-13H,1-2,6-7,14-15H2