N-(cyclopropylcarbamoyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(cyclopropylcarbamoyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(cyclopropylcarbamoyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(cyclopropylcarbamoyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(cyclopropylcarbamoyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propionamide Formula: C18H25N5O6S MolecularWeight: 439.486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC(=O)NC3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC(=O)NC3CC3

InChI

InChI=1S/C18H25N5O6S/c1-12-3-6-15(23(26)27)11-16(12)30(28,29)22-9-7-21(8-10-22)13(2)17(24)20-18(25)19-14-4-5-14/h3,6,11,13-14H,4-5,7-10H2,1-2H3,(H2,19,20,24,25)