N-(2-methyl-3-nitro-phenyl)-3-(4-methylsulfonylpiperazin-1-yl)propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-(4-methylsulfonylpiperazin-1-yl)propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-3-(4-methylsulfonylpiperazin-1-yl)propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-3-(4-methylsulfonyl-1-piperazinyl)propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propanamide Traditional Name: 3-(4-mesylpiperazino)-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C15H22N4O5S MolecularWeight: 370.42398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H22N4O5S/c1-12-13(4-3-5-14(12)19(21)22)16-15(20)6-7-17-8-10-18(11-9-17)25(2,23)24/h3-5H,6-11H2,1-2H3,(H,16,20)