4-(azepan-1-ylsulfonyl)-N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Formula: C26H25IN4O3S MolecularWeight: 600.47117

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3C4=CC=CC=C4CN5C=C(C=CC5=N3)I

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3C4=CC=CC=C4CN5C=C(C=CC5=N3)I

InChI

InChI=1S/C26H25IN4O3S/c27-21-11-14-24-28-25(23-8-4-3-7-20(23)17-30(24)18-21)29-26(32)19-9-12-22(13-10-19)35(33,34)31-15-5-1-2-6-16-31/h3-4,7-14,18H,1-2,5-6,15-17H2