N-[(3-methoxyphenyl)methyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(3-methoxyphenyl)methyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(3-methoxyphenyl)methyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(3-methoxyphenyl)methyl]-4-nitro-2-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-nitro-2-pyrrolidin-1-ylsulfonylaniline Traditional Name: m-anisyl-(4-nitro-2-pyrrolidinosulfonyl-phenyl)amine Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

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