8-[[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]quinoline Openeye Name: 8-[[4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-yl]methyl]quinoline CAS Name: 8-[[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]methyl]quinoline IUPAC Name: 8-[[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]methyl]quinoline Traditional Name: 8-[[4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazino]methyl]quinoline Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O4S/c31-30(32)24-18-22(35(33,34)29-12-2-1-3-13-29)9-10-23(24)28-16-14-27(15-17-28)19-21-7-4-6-20-8-5-11-26-25(20)21/h4-11,18H,1-3,12-17,19H2