N-[4-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[3-(allylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[4-nitro-3-(prop-2-enylamino)phenyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[3-(allylamino)-4-nitro-phenyl]piperazino]sulfonylphenyl]acetamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O5S/c1-3-10-22-20-15-18(6-9-21(20)26(28)29)24-11-13-25(14-12-24)32(30,31)19-7-4-17(5-8-19)23-16(2)27/h3-9,15,22H,1,10-14H2,2H3,(H,23,27)