N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(1R)-1-(benzofuran-2-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(1R)-1-(2-benzofuranyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(1R)-1-(benzofuran-2-yl)ethyl]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2O1)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-14(20-12-15-6-2-3-7-19(15)28-20)21-17-9-8-16(13-18(17)23(24)25)29(26,27)22-10-4-5-11-22/h2-3,6-9,12-14,21H,4-5,10-11H2,1H3/t14-/m1/s1