1-[4-(hexadecylamino)phenyl]-2-(phenylsulfonyl)ethanone

Systemtic Name: 1-[4-(hexadecylamino)phenyl]-2-(phenylsulfonyl)ethanone Openeye Name: 2-(benzenesulfonyl)-1-[4-(hexadecylamino)phenyl]ethanone CAS Name: 2-(benzenesulfonyl)-1-[4-(hexadecylamino)phenyl]ethanone IUPAC Name: 2-(benzenesulfonyl)-1-[4-(hexadecylamino)phenyl]ethanone Traditional Name: 2-besyl-1-[4-(cetylamino)phenyl]ethanone Formula: C30H45NO3S MolecularWeight: 499.7482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C30H45NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-31-28-23-21-27(22-24-28)30(32)26-35(33,34)29-19-16-15-17-20-29/h15-17,19-24,31H,2-14,18,25-26H2,1H3