N-(4-ethoxyphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-(4-ethoxyphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-(4-ethoxyphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-(4-ethoxyphenyl)-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-(4-ethoxyphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-p-phenetyl-amine Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-2-26-15-7-5-14(6-8-15)19-17-10-9-16(13-18(17)21(22)23)27(24,25)20-11-3-4-12-20/h5-10,13,19H,2-4,11-12H2,1H3