2-nitro-4-piperidin-1-ylsulfonyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline

Systemtic Name: 2-nitro-4-piperidin-1-ylsulfonyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline Openeye Name: 2-nitro-4-(1-piperidylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline CAS Name: 2-nitro-4-(1-piperidinylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline IUPAC Name: 2-nitro-4-piperidin-1-ylsulfonyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline Traditional Name: (2-nitro-4-piperidinosulfonyl-phenyl)-(2,4,5-trimethoxybenzyl)amine Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H27N3O7S/c1-29-19-13-21(31-3)20(30-2)11-15(19)14-22-17-8-7-16(12-18(17)24(25)26)32(27,28)23-9-5-4-6-10-23/h7-8,11-13,22H,4-6,9-10,14H2,1-3H3