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

Systemtic Name: N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-piperidinosulfonyl-benzamide Formula: C25H23IN4O3S MolecularWeight: 586.44459

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3C4=CC=CC=C4CN5C=C(C=CC5=N3)I

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3C4=CC=CC=C4CN5C=C(C=CC5=N3)I

InChI

InChI=1S/C25H23IN4O3S/c26-20-10-13-23-27-24(22-7-3-2-6-19(22)16-29(23)17-20)28-25(31)18-8-11-21(12-9-18)34(32,33)30-14-4-1-5-15-30/h2-3,6-13,17H,1,4-5,14-16H2