N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide Openeye Name: N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide CAS Name: N-[(Z)-1-[4-(1-piperazin-4-iumylsulfonyl)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide IUPAC Name: N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide Traditional Name: N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide Formula: C17H22N5O3S+ MolecularWeight: 376.45328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CN1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3

Isomeric SMILES

C/C(=N/NC(=O)C1=CC=CN1)/C2=CC=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C17H21N5O3S/c1-13(20-21-17(23)16-3-2-8-19-16)14-4-6-15(7-5-14)26(24,25)22-11-9-18-10-12-22/h2-8,18-19H,9-12H2,1H3,(H,21,23)/p+1/b20-13-