N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-ethylpiperazin-1-yl)ethanamide; ethanedioic acid

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-ethylpiperazin-1-yl)ethanamide; ethanedioic acid Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide; oxalic acid CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(4-ethyl-1-piperazinyl)acetamide; oxalic acid IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide; oxalic acid Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(4-ethylpiperazino)acetamide; oxalic acid Formula: C21H31ClN4O7S MolecularWeight: 519.01144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29ClN4O3S.C2H2O4/c1-2-22-10-12-23(13-11-22)15-19(25)21-18-14-16(6-7-17(18)20)28(26,27)24-8-4-3-5-9-24;3-1(4)2(5)6/h6-7,14H,2-5,8-13,15H2,1H3,(H,21,25);(H,3,4)(H,5,6)