N-butyl-2-[4-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2-[(4-chlorophenyl)sulfonyl-methylamino]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C19H30ClN4O4S+ MolecularWeight: 445.9839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H29ClN4O4S/c1-3-4-9-21-18(25)14-23-10-12-24(13-11-23)19(26)15-22(2)29(27,28)17-7-5-16(20)6-8-17/h5-8H,3-4,9-15H2,1-2H3,(H,21,25)/p+1