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

Systemtic Name: 2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-N-prop-2-ynyl-propanamide Openeye Name: 2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-N-prop-2-ynyl-propanamide CAS Name: 2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-N-prop-2-ynylpropanamide IUPAC Name: 2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-N-prop-2-ynylpropanamide Traditional Name: 2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-N-propargyl-propionamide Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C(=O)NCC#C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C(=O)NCC#C

InChI

InChI=1S/C17H22N4O5S/c1-4-7-18-17(22)14(3)19-8-10-20(11-9-19)27(25,26)16-12-15(21(23)24)6-5-13(16)2/h1,5-6,12,14H,7-11H2,2-3H3,(H,18,22)