[4-(4-nitrophenyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-[1-(3-pyridylsulfonyl)-4-piperidyl]methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methanone IUPAC Name: [4-(4-nitrophenyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone Traditional Name: [4-(4-nitrophenyl)piperazino]-[1-(3-pyridylsulfonyl)-4-piperidyl]methanone Formula: C21H25N5O5S MolecularWeight: 459.5187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H25N5O5S/c27-21(17-7-10-25(11-8-17)32(30,31)20-2-1-9-22-16-20)24-14-12-23(13-15-24)18-3-5-19(6-4-18)26(28)29/h1-6,9,16-17H,7-8,10-15H2