N-[(5-fluoranyl-1-benzothiophen-2-yl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(5-fluoranyl-1-benzothiophen-2-yl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(5-fluorobenzothiophen-2-yl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (5-fluorobenzothiophen-2-yl)methyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C19H18FN3O4S2 MolecularWeight: 435.492323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(S3)C=CC(=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(S3)C=CC(=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18FN3O4S2/c20-14-3-6-19-13(9-14)10-15(28-19)12-21-17-5-4-16(11-18(17)23(24)25)29(26,27)22-7-1-2-8-22/h3-6,9-11,21H,1-2,7-8,12H2