8-[3-(1-phenethyl-2,3,6,7-tetrahydroazepin-4-yl)indol-1-yl]sulfonylquinoline

Systemtic Name: 8-[3-(1-phenethyl-2,3,6,7-tetrahydroazepin-4-yl)indol-1-yl]sulfonylquinoline Openeye Name: 8-[3-(1-phenethyl-2,3,6,7-tetrahydroazepin-4-yl)indol-1-yl]sulfonylquinoline CAS Name: 8-[[3-(1-phenethyl-2,3,6,7-tetrahydroazepin-4-yl)-1-indolyl]sulfonyl]quinoline IUPAC Name: 8-[3-(1-phenethyl-2,3,6,7-tetrahydroazepin-4-yl)indol-1-yl]sulfonylquinoline Traditional Name: 8-[3-(1-phenethyl-2,3,6,7-tetrahydroazepin-4-yl)indol-1-yl]sulfonylquinoline Formula: C31H29N3O2S MolecularWeight: 507.64586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC(=C1)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)CCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC(=C1)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)CCC6=CC=CC=C6

InChI

InChI=1S/C31H29N3O2S/c35-37(36,30-16-6-11-26-12-7-19-32-31(26)30)34-23-28(27-14-4-5-15-29(27)34)25-13-8-20-33(22-18-25)21-17-24-9-2-1-3-10-24/h1-7,9-16,19,23H,8,17-18,20-22H2