N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(1-methyl-2-imidazolyl)-phenylmethyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: [(1-methylimidazol-2-yl)-phenyl-methyl]-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

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