N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: 3-(1H-benzimidazol-2-yl)propyl-(4-mesyl-2-nitro-phenyl)amine Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S/c1-26(24,25)12-8-9-15(16(11-12)21(22)23)18-10-4-7-17-19-13-5-2-3-6-14(13)20-17/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3,(H,19,20)