2-methylidene-1-(4-methylphenyl)sulfonyl-4-prop-2-enyl-3H-1,4-benzodiazepin-5-one

Systemtic Name: 2-methylidene-1-(4-methylphenyl)sulfonyl-4-prop-2-enyl-3H-1,4-benzodiazepin-5-one Openeye Name: 4-allyl-2-methylene-1-(p-tolylsulfonyl)-3H-1,4-benzodiazepin-5-one CAS Name: 2-methylene-1-(4-methylphenyl)sulfonyl-4-prop-2-enyl-3H-1,4-benzodiazepin-5-one IUPAC Name: 2-methylidene-1-(4-methylphenyl)sulfonyl-4-prop-2-enyl-3H-1,4-benzodiazepin-5-one Traditional Name: 4-allyl-2-methylene-1-tosyl-3H-1,4-benzodiazepin-5-one Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C)CN(C(=O)C3=CC=CC=C32)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C)CN(C(=O)C3=CC=CC=C32)CC=C

InChI

InChI=1S/C20H20N2O3S/c1-4-13-21-14-16(3)22(19-8-6-5-7-18(19)20(21)23)26(24,25)17-11-9-15(2)10-12-17/h4-12H,1,3,13-14H2,2H3