N-(1H-imidazol-5-ylmethyl)-8-methoxy-2-naphthalen-1-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepin-5-amine

Systemtic Name: N-(1H-imidazol-5-ylmethyl)-8-methoxy-2-naphthalen-1-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepin-5-amine Openeye Name: N-(1H-imidazol-5-ylmethyl)-8-methoxy-2-(1-naphthylsulfonyl)-1,3,4,5-tetrahydro-2-benzazepin-5-amine CAS Name: N-(1H-imidazol-5-ylmethyl)-8-methoxy-2-(1-naphthalenylsulfonyl)-1,3,4,5-tetrahydro-2-benzazepin-5-amine IUPAC Name: N-(1H-imidazol-5-ylmethyl)-8-methoxy-2-naphthalen-1-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepin-5-amine Traditional Name: 1H-imidazol-5-ylmethyl-[8-methoxy-2-(1-naphthylsulfonyl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]amine Formula: C25H26N4O3S MolecularWeight: 462.56394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(CCN(C2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)NCC5=CN=CN5

Isomeric SMILES

COC1=CC2=C(C=C1)C(CCN(C2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)NCC5=CN=CN5

InChI

InChI=1S/C25H26N4O3S/c1-32-21-9-10-22-19(13-21)16-29(12-11-24(22)27-15-20-14-26-17-28-20)33(30,31)25-8-4-6-18-5-2-3-7-23(18)25/h2-10,13-14,17,24,27H,11-12,15-16H2,1H3,(H,26,28)