2-phenylazanyl-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]ethanamide

Systemtic Name: 2-phenylazanyl-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]ethanamide Openeye Name: 2-anilino-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]acetamide CAS Name: 2-anilino-N-[(Z)-1-[4-(1-piperazin-4-iumylsulfonyl)phenyl]ethylideneamino]acetamide IUPAC Name: 2-anilino-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]acetamide Traditional Name: 2-anilino-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]acetamide Formula: C20H26N5O3S+ MolecularWeight: 416.51714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CNC1=CC=CC=C1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3

Isomeric SMILES

C/C(=N/NC(=O)CNC1=CC=CC=C1)/C2=CC=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C20H25N5O3S/c1-16(23-24-20(26)15-22-18-5-3-2-4-6-18)17-7-9-19(10-8-17)29(27,28)25-13-11-21-12-14-25/h2-10,21-22H,11-15H2,1H3,(H,24,26)/p+1/b23-16-