N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H30ClN4O3S2+ MolecularWeight: 498.0816

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H29ClN4O3S2/c1-2-25-11-13-26(14-12-25)20-6-5-18(23)16-19(20)24-22(28)17-7-9-27(10-8-17)32(29,30)21-4-3-15-31-21/h3-6,15-17H,2,7-14H2,1H3,(H,24,28)/p+1