N-[3-(1,3-dithian-2-yl)phenyl]-4-methyl-3-methylsulfonyl-benzamide

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-methyl-3-methylsulfonyl-benzamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-methyl-3-methylsulfonyl-benzamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-methyl-3-methylsulfonylbenzamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-methyl-3-methylsulfonylbenzamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-mesyl-4-methyl-benzamide Formula: C19H21NO3S3 MolecularWeight: 407.56994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3SCCCS3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3SCCCS3)S(=O)(=O)C

InChI

InChI=1S/C19H21NO3S3/c1-13-7-8-14(12-17(13)26(2,22)23)18(21)20-16-6-3-5-15(11-16)19-24-9-4-10-25-19/h3,5-8,11-12,19H,4,9-10H2,1-2H3,(H,20,21)