4-ethyl-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]benzamide

Systemtic Name: 4-ethyl-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]benzamide Openeye Name: 4-ethyl-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]benzamide CAS Name: 4-ethyl-N-[(Z)-1-[4-(1-piperazin-4-iumylsulfonyl)phenyl]ethylideneamino]benzamide IUPAC Name: 4-ethyl-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]benzamide Traditional Name: 4-ethyl-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]benzamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NN=C(C)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N/N=C(/C)\C2=CC=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C21H26N4O3S/c1-3-17-4-6-19(7-5-17)21(26)24-23-16(2)18-8-10-20(11-9-18)29(27,28)25-14-12-22-13-15-25/h4-11,22H,3,12-15H2,1-2H3,(H,24,26)/p+1/b23-16-