2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]aniline

Systemtic Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]aniline Openeye Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[(1R)-1-(2-thienyl)ethyl]aniline CAS Name: 2-nitro-4-(1-pyrrolidinylsulfonyl)-N-[(1R)-1-thiophen-2-ylethyl]aniline IUPAC Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]aniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-[(1R)-1-(2-thienyl)ethyl]amine Formula: C16H19N3O4S2 MolecularWeight: 381.46976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CS1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S2/c1-12(16-5-4-10-24-16)17-14-7-6-13(11-15(14)19(20)21)25(22,23)18-8-2-3-9-18/h4-7,10-12,17H,2-3,8-9H2,1H3/t12-/m1/s1