N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine Openeye Name: N-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]-1-(tetrahydrofuran-2-ylmethyl)pyrazol-4-amine CAS Name: N-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-(2-oxolanylmethyl)-4-pyrazolamine IUPAC Name: N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine Traditional Name: [4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-[1-(tetrahydrofurfuryl)pyrazol-4-yl]amine Formula: C20H27N5O5S MolecularWeight: 449.52388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CN(N=C3)CC4CCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CN(N=C3)CC4CCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O5S/c1-15-6-8-24(9-7-15)31(28,29)18-4-5-19(20(11-18)25(26)27)22-16-12-21-23(13-16)14-17-3-2-10-30-17/h4-5,11-13,15,17,22H,2-3,6-10,14H2,1H3