N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(2-methylthiazol-4-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[2-(2-methyl-4-thiazolyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: 2-(2-methylthiazol-4-yl)ethyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C16H20N4O4S2 MolecularWeight: 396.4844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4S2/c1-12-18-13(11-25-12)6-7-17-15-5-4-14(10-16(15)20(21)22)26(23,24)19-8-2-3-9-19/h4-5,10-11,17H,2-3,6-9H2,1H3