N-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1-tosyl-pyrrolidine-2-carboxamide Formula: C25H23BrN4O3S MolecularWeight: 539.44412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N=C3C4=CC=CC=C4CN5C=C(C=CC5=N3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N=C3C4=CC=CC=C4CN5C=C(C=CC5=N3)Br

InChI

InChI=1S/C25H23BrN4O3S/c1-17-8-11-20(12-9-17)34(32,33)30-14-4-7-22(30)25(31)28-24-21-6-3-2-5-18(21)15-29-16-19(26)10-13-23(29)27-24/h2-3,5-6,8-13,16,22H,4,7,14-15H2,1H3