N-[(2-cyclopentyloxypyridin-3-yl)methyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(2-cyclopentyloxypyridin-3-yl)methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[[2-(cyclopentoxy)-3-pyridyl]methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(2-cyclopentyloxypyridin-3-yl)methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [2-(cyclopentoxy)-3-pyridyl]methyl-(4-mesyl-2-nitro-phenyl)amine Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=C(N=CC=C2)OC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=C(N=CC=C2)OC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-27(24,25)15-8-9-16(17(11-15)21(22)23)20-12-13-5-4-10-19-18(13)26-14-6-2-3-7-14/h4-5,8-11,14,20H,2-3,6-7,12H2,1H3