ethanedioate; 3-[2-(ethylamino)ethyl]-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea

Systemtic Name: ethanedioate; 3-[2-(ethylamino)ethyl]-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(ethylamino)ethyl]-1-isopropyl-urea; oxalate CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(ethylamino)ethyl]-1-propan-2-ylurea; oxalate IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(ethylamino)ethyl]-1-propan-2-ylurea; oxalate Traditional Name: 1-(2-besylethyl)-3-[2-(ethylamino)ethyl]-1-isopropyl-urea; oxalate Formula: C18H27N3O7S-2 MolecularWeight: 429.48788

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCNC(=O)N(CCS(=O)(=O)C1=CC=CC=C1)C(C)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCNCCNC(=O)N(CCS(=O)(=O)C1=CC=CC=C1)C(C)C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C16H27N3O3S.C2H2O4/c1-4-17-10-11-18-16(20)19(14(2)3)12-13-23(21,22)15-8-6-5-7-9-15;3-1(4)2(5)6/h5-9,14,17H,4,10-13H2,1-3H3,(H,18,20);(H,3,4)(H,5,6)/p-2