1-(5-chloranylthiophen-2-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-[(3-methoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-[(3-methoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-m-anisyl-piperazine; oxalic acid Formula: C18H21ClN2O7S2 MolecularWeight: 476.95154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19ClN2O3S2.C2H2O4/c1-22-14-4-2-3-13(11-14)12-18-7-9-19(10-8-18)24(20,21)16-6-5-15(17)23-16;3-1(4)2(5)6/h2-6,11H,7-10,12H2,1H3;(H,3,4)(H,5,6)