ethyl N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]carbamate

Systemtic Name: ethyl N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]carbamate Openeye Name: ethyl N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]carbamate CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]carbamate Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]carbamic acid ethyl ester Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)OCC

InChI

InChI=1S/C20H32N4O4S/c1-3-22-12-14-23(15-13-22)19-9-8-17(16-18(19)21-20(25)28-4-2)29(26,27)24-10-6-5-7-11-24/h8-9,16H,3-7,10-15H2,1-2H3,(H,21,25)/p+1