N-(2-chloranyl-4-nitro-phenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[4-(3-pyridylsulfonyl)piperazin-1-yl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[4-(3-pyridylsulfonyl)piperazino]propionamide Formula: C18H20ClN5O5S MolecularWeight: 453.8999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H20ClN5O5S/c1-13(18(25)21-17-5-4-14(24(26)27)11-16(17)19)22-7-9-23(10-8-22)30(28,29)15-3-2-6-20-12-15/h2-6,11-13H,7-10H2,1H3,(H,21,25)