9,9-dimethyl-5-methylsulfonyl-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9,9-dimethyl-5-methylsulfonyl-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9,9-dimethyl-5-methylsulfonyl-6-(2-thienyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9,9-dimethyl-5-methylsulfonyl-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9,9-dimethyl-5-methylsulfonyl-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-mesyl-9,9-dimethyl-6-(2-thienyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(N(C3=CC=CC=C3N2)S(=O)(=O)C)C4=CC=CS4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(N(C3=CC=CC=C3N2)S(=O)(=O)C)C4=CC=CS4)C(=O)C1)C

InChI

InChI=1S/C20H22N2O3S2/c1-20(2)11-14-18(16(23)12-20)19(17-9-6-10-26-17)22(27(3,24)25)15-8-5-4-7-13(15)21-14/h4-10,19,21H,11-12H2,1-3H3