N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline

Systemtic Name: N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline Openeye Name: N-methyl-2-nitro-4-(1-piperidylsulfonyl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline CAS Name: N-methyl-2-nitro-4-(1-piperidinylsulfonyl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline IUPAC Name: N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline Traditional Name: methyl-(2-nitro-4-piperidinosulfonyl-phenyl)-(2,3,4-trimethoxybenzyl)amine Formula: C22H29N3O7S MolecularWeight: 479.54656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=C(C=C1)OC)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C(=C(C=C1)OC)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O7S/c1-23(15-16-8-11-20(30-2)22(32-4)21(16)31-3)18-10-9-17(14-19(18)25(26)27)33(28,29)24-12-6-5-7-13-24/h8-11,14H,5-7,12-13,15H2,1-4H3