N-[(1R)-1-[3,4-bis(fluoranyl)phenyl]ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(1R)-1-[3,4-bis(fluoranyl)phenyl]ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(1R)-1-(3,4-difluorophenyl)ethyl]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C18H19F2N3O4S MolecularWeight: 411.422966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F2N3O4S/c1-12(13-4-6-15(19)16(20)10-13)21-17-7-5-14(11-18(17)23(24)25)28(26,27)22-8-2-3-9-22/h4-7,10-12,21H,2-3,8-9H2,1H3/t12-/m1/s1