1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-benzimidazol-2-one

Systemtic Name: 1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-benzimidazol-2-one Openeye Name: 1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-benzimidazol-2-one CAS Name: 1-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-3-propyl-2-benzimidazolone IUPAC Name: 1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-propylbenzimidazol-2-one Traditional Name: 1-[[4-(2-nitrophenyl)sulfonylpiperazino]methyl]-3-propyl-benzimidazol-2-one Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O5S/c1-2-11-24-17-7-3-4-8-18(17)25(21(24)27)16-22-12-14-23(15-13-22)32(30,31)20-10-6-5-9-19(20)26(28)29/h3-10H,2,11-16H2,1H3