4-[4-[3-[(5-chloranyl-2-methoxy-phenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[3-[(5-chloranyl-2-methoxy-phenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[3-(5-chloro-2-methoxy-anilino)-3-oxo-propyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-1-piperazin-4-iumyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]piperazin-4-ium-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[3-(5-chloro-2-methoxy-anilino)-3-keto-propyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C20H27ClN5O5S+ MolecularWeight: 484.97688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C20H26ClN5O5S/c1-24-13-15(12-17(24)20(22)28)32(29,30)26-9-7-25(8-10-26)6-5-19(27)23-16-11-14(21)3-4-18(16)31-2/h3-4,11-13H,5-10H2,1-2H3,(H2,22,28)(H,23,27)/p+1