2-[8-(azepan-1-ylsulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-4-nitro-phenol

Systemtic Name: 2-[8-(azepan-1-ylsulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-4-nitro-phenol Openeye Name: 2-[8-(azepan-1-ylsulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-4-nitro-phenol CAS Name: 2-[8-(1-azepanylsulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-4-nitrophenol IUPAC Name: 2-[8-(azepan-1-ylsulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-4-nitrophenol Traditional Name: 2-[8-(azepan-1-ylsulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-4-nitro-phenol Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=C(C=CC(=C5)[N+](=O)[O-])O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=C(C=CC(=C5)[N+](=O)[O-])O

InChI

InChI=1S/C24H27N3O5S/c28-23-11-8-16(27(29)30)14-21(23)24-19-7-5-6-18(19)20-15-17(9-10-22(20)25-24)33(31,32)26-12-3-1-2-4-13-26/h5-6,8-11,14-15,18-19,24-25,28H,1-4,7,12-13H2