N-methyl-2-nitro-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-methyl-2-nitro-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-methyl-2-nitro-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (1-benzylpyrazol-4-yl)methyl-methyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C22H25N5O4S MolecularWeight: 455.53

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4S/c1-24(15-19-14-23-25(17-19)16-18-7-3-2-4-8-18)21-10-9-20(13-22(21)27(28)29)32(30,31)26-11-5-6-12-26/h2-4,7-10,13-14,17H,5-6,11-12,15-16H2,1H3