N-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-2-methyl-3-nitro-aniline

Systemtic Name: N-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-2-methyl-3-nitro-aniline Openeye Name: N-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-2-methyl-3-nitro-aniline CAS Name: N-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-2-methyl-3-nitroaniline IUPAC Name: N-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-2-methyl-3-nitroaniline Traditional Name: (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl-(2-methyl-3-nitro-phenyl)amine Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CNC4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CNC4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H27N5O4S/c1-3-26-21-11-10-17(32(30,31)25-12-5-4-6-13-25)14-19(21)24-22(26)15-23-18-8-7-9-20(16(18)2)27(28)29/h7-11,14,23H,3-6,12-13,15H2,1-2H3