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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)NCC1CNC(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)NCC1CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20BrN3O3S/c1-26(24,25)22-12-14-9-15(19)7-8-17(14)20-10-16(22)11-21-18(23)13-5-3-2-4-6-13/h2-9,16,20H,10-12H2,1H3,(H,21,23)