1-[3-nitro-4-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]phenyl]ethanone Openeye Name: 1-[3-nitro-4-(3-pyrrolidin-1-ylsulfonylanilino)phenyl]ethanone CAS Name: 1-[3-nitro-4-[3-(1-pyrrolidinylsulfonyl)anilino]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-(3-pyrrolidin-1-ylsulfonylanilino)phenyl]ethanone Traditional Name: 1-[3-nitro-4-(3-pyrrolidinosulfonylanilino)phenyl]ethanone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-13(22)14-7-8-17(18(11-14)21(23)24)19-15-5-4-6-16(12-15)27(25,26)20-9-2-3-10-20/h4-8,11-12,19H,2-3,9-10H2,1H3