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

Systemtic Name: 2-bromanyl-N-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]aniline Openeye Name: 2-bromo-N-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]aniline CAS Name: 2-bromo-N-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]aniline IUPAC Name: 2-bromo-N-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]aniline Traditional Name: (2-bromophenyl)-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]amine Formula: C21H25BrN4O2S MolecularWeight: 477.4178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CNC4=CC=CC=C4Br

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CNC4=CC=CC=C4Br

InChI

InChI=1S/C21H25BrN4O2S/c1-2-26-20-11-10-16(29(27,28)25-12-6-3-7-13-25)14-19(20)24-21(26)15-23-18-9-5-4-8-17(18)22/h4-5,8-11,14,23H,2-3,6-7,12-13,15H2,1H3