N-(7-bromanyl-4-methylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-3-yl)-N-methyl-benzamide

Systemtic Name: N-(7-bromanyl-4-methylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-3-yl)-N-methyl-benzamide Openeye Name: N-(7-bromo-4-methylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-3-yl)-N-methyl-benzamide CAS Name: N-(7-bromo-4-methylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-3-yl)-N-methylbenzamide IUPAC Name: N-(7-bromo-4-methylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-3-yl)-N-methylbenzamide Traditional Name: N-(7-bromo-4-mesyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-3-yl)-N-methyl-benzamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CNC2=C(CN1S(=O)(=O)C)C=C(C=C2)Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C1CNC2=C(CN1S(=O)(=O)C)C=C(C=C2)Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20BrN3O3S/c1-21(18(23)13-6-4-3-5-7-13)17-11-20-16-9-8-15(19)10-14(16)12-22(17)26(2,24)25/h3-10,17,20H,11-12H2,1-2H3