N-methyl-2-nitro-N-(2-phenoxyethyl)-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-methyl-2-nitro-N-(2-phenoxyethyl)-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-methyl-2-nitro-N-(2-phenoxyethyl)-4-(1-piperidylsulfonyl)aniline CAS Name: N-methyl-2-nitro-N-(2-phenoxyethyl)-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-methyl-2-nitro-N-(2-phenoxyethyl)-4-piperidin-1-ylsulfonylaniline Traditional Name: methyl-(2-nitro-4-piperidinosulfonyl-phenyl)-(2-phenoxyethyl)amine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=CC=C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CCOC1=CC=CC=C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-21(14-15-28-17-8-4-2-5-9-17)19-11-10-18(16-20(19)23(24)25)29(26,27)22-12-6-3-7-13-22/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3