ethanedioic acid; 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone

Systemtic Name: ethanedioic acid; 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone Openeye Name: 1-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-(tetrahydrofuran-2-ylmethylamino)ethanone; oxalic acid CAS Name: 1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-(2-oxolanylmethylamino)ethanone; oxalic acid IUPAC Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone; oxalic acid Traditional Name: 1-[4-(2-naphthylsulfonyl)piperazino]-2-(tetrahydrofurfurylamino)ethanone; oxalic acid Formula: C23H29N3O8S MolecularWeight: 507.55666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(OC1)CNCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O4S.C2H2O4/c25-21(16-22-15-19-6-3-13-28-19)23-9-11-24(12-10-23)29(26,27)20-8-7-17-4-1-2-5-18(17)14-20;3-1(4)2(5)6/h1-2,4-5,7-8,14,19,22H,3,6,9-13,15-16H2;(H,3,4)(H,5,6)