2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]-N-propylacetamide IUPAC Name: 2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]-N-propylacetamide Traditional Name: 2-[4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazino]-N-propyl-acetamide Formula: C21H33N5O5S MolecularWeight: 467.58222

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H33N5O5S/c1-3-8-22-21(27)16-23-11-13-24(14-12-23)19-5-4-18(15-20(19)26(28)29)32(30,31)25-9-6-17(2)7-10-25/h4-5,15,17H,3,6-14,16H2,1-2H3,(H,22,27)