N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanamide; ethanedioic acid

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanamide; ethanedioic acid Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[methyl-(1-methyl-4-piperidyl)amino]acetamide; oxalic acid CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[methyl-(1-methyl-4-piperidinyl)amino]acetamide; oxalic acid IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide; oxalic acid Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-[methyl-(1-methyl-4-piperidyl)amino]acetamide; oxalic acid Formula: C21H31ClN4O7S MolecularWeight: 519.01144

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)N(C)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29ClN4O3S.C2H2O4/c1-22-11-7-15(8-12-22)23(2)14-19(25)21-18-13-16(5-6-17(18)20)28(26,27)24-9-3-4-10-24;3-1(4)2(5)6/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H,21,25);(H,3,4)(H,5,6)