N-[2-(5-bromanylthiophen-2-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[2-(5-bromanylthiophen-2-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(5-bromo-2-thienyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[2-(5-bromo-2-thiophenyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[2-(5-bromothiophen-2-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: 2-(5-bromo-2-thienyl)ethyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C16H18BrN3O4S2 MolecularWeight: 460.36582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=C(S3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=C(S3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H18BrN3O4S2/c17-16-6-3-12(25-16)7-8-18-14-5-4-13(11-15(14)20(21)22)26(23,24)19-9-1-2-10-19/h3-6,11,18H,1-2,7-10H2