1-(1,3-benzodioxol-5-yl)-2-phenethylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-phenethylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-phenethylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole CAS Name: 1-(1,3-benzodioxol-5-yl)-2-phenethylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-phenethylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-phenethylsulfonyl-1,3,4,9-tetrahydro-$b-carboline Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)S(=O)(=O)CCC6=CC=CC=C6

Isomeric SMILES

C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)S(=O)(=O)CCC6=CC=CC=C6

InChI

InChI=1S/C26H24N2O4S/c29-33(30,15-13-18-6-2-1-3-7-18)28-14-12-21-20-8-4-5-9-22(20)27-25(21)26(28)19-10-11-23-24(16-19)32-17-31-23/h1-11,16,26-27H,12-15,17H2