7-ethyl-3-[1-(4-methylsulfonyl-2-nitro-phenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

Systemtic Name: 7-ethyl-3-[1-(4-methylsulfonyl-2-nitro-phenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole Openeye Name: 7-ethyl-3-[1-(4-methylsulfonyl-2-nitro-phenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole CAS Name: 7-ethyl-3-[1-(4-methylsulfonyl-2-nitrophenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole IUPAC Name: 7-ethyl-3-[1-(4-methylsulfonyl-2-nitrophenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole Traditional Name: 7-ethyl-3-[1-(4-mesyl-2-nitro-phenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C3=CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C3=CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4S/c1-3-15-5-4-6-18-19(14-23-22(15)18)16-9-11-24(12-10-16)20-8-7-17(30(2,28)29)13-21(20)25(26)27/h4-9,13-14,23H,3,10-12H2,1-2H3