N-but-3-enyl-N-[6-iodanyl-8-methoxy-5-oxidanyl-1-(phenylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzenesulfonamide

Systemtic Name: N-but-3-enyl-N-[6-iodanyl-8-methoxy-5-oxidanyl-1-(phenylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzenesulfonamide Openeye Name: N-[1-(benzenesulfonyl)-5-hydroxy-6-iodo-8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-N-but-3-enyl-benzenesulfonamide CAS Name: N-[1-(benzenesulfonyl)-5-hydroxy-6-iodo-8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-N-but-3-enylbenzenesulfonamide IUPAC Name: N-[1-(benzenesulfonyl)-5-hydroxy-6-iodo-8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-N-but-3-enylbenzenesulfonamide Traditional Name: N-(1-besyl-5-hydroxy-6-iodo-8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-N-but-3-enyl-benzenesulfonamide Formula: C27H29IN2O6S2 MolecularWeight: 668.56343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(CCCN(C2=C1)S(=O)(=O)C3=CC=CC=C3)O)I)N(CCC=C)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=C2C(CCCN(C2=C1)S(=O)(=O)C3=CC=CC=C3)O)I)N(CCC=C)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29IN2O6S2/c1-3-4-17-30(38(34,35)21-14-9-6-10-15-21)27-24(36-2)19-22-25(26(27)28)23(31)16-11-18-29(22)37(32,33)20-12-7-5-8-13-20/h3,5-10,12-15,19,23,31H,1,4,11,16-18H2,2H3