N-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(4-ethylpiperazin-4-ium-1-yl)carbonyl-benzamide

Systemtic Name: N-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(4-ethylpiperazin-4-ium-1-yl)carbonyl-benzamide Openeye Name: N-[4-[[(2R,6R)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]-2-(4-ethylpiperazin-4-ium-1-carbonyl)benzamide CAS Name: N-[4-[[(2R,6R)-2,6-dimethyl-1-piperidinyl]sulfonyl]phenyl]-2-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]benzamide IUPAC Name: N-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(4-ethylpiperazin-4-ium-1-carbonyl)benzamide Traditional Name: N-[4-[(2R,6R)-2,6-dimethylpiperidino]sulfonylphenyl]-2-(4-ethylpiperazin-4-ium-1-carbonyl)benzamide Formula: C27H37N4O4S+ MolecularWeight: 513.67208

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4C(CCCC4C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4[C@@H](CCC[C@H]4C)C

InChI

InChI=1S/C27H36N4O4S/c1-4-29-16-18-30(19-17-29)27(33)25-11-6-5-10-24(25)26(32)28-22-12-14-23(15-13-22)36(34,35)31-20(2)8-7-9-21(31)3/h5-6,10-15,20-21H,4,7-9,16-19H2,1-3H3,(H,28,32)/p+1/t20-,21-/m1/s1