ethanedioic acid; N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thian-4-amine

Systemtic Name: ethanedioic acid; N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thian-4-amine Openeye Name: N-[(4-morpholinosulfonylphenyl)methyl]tetrahydrothiopyran-4-amine; oxalic acid CAS Name: N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]-4-thianamine; oxalic acid IUPAC Name: N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thian-4-amine; oxalic acid Traditional Name: (4-morpholinosulfonylbenzyl)-tetrahydrothiopyran-4-yl-amine; oxalic acid Formula: C18H26N2O7S2 MolecularWeight: 446.53824

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CSCCC1NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O3S2.C2H2O4/c19-23(20,18-7-9-21-10-8-18)16-3-1-14(2-4-16)13-17-15-5-11-22-12-6-15;3-1(4)2(5)6/h1-4,15,17H,5-13H2;(H,3,4)(H,5,6)