(Z)-3-methyl-4-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (Z)-3-methyl-4-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-3-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]-4-oxo-but-2-enoate CAS Name: (Z)-3-methyl-4-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-4-oxo-2-butenoate IUPAC Name: (Z)-3-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]-4-oxobut-2-enoate Traditional Name: (Z)-4-keto-3-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]but-2-enoate Formula: C16H21N3O5S MolecularWeight: 367.42004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)[O-])C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

C/C(=C/C(=O)[O-])/C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H21N3O5S/c1-12(11-15(20)21)16(22)17-13-3-5-14(6-4-13)25(23,24)19-9-7-18(2)8-10-19/h3-6,11H,7-10H2,1-2H3,(H,17,22)(H,20,21)/b12-11-