(E)-but-2-enedioic acid; 3-[2-(4-chlorophenyl)sulfonylethyl]-1-(2-dimethylaminoethyl)-1-propan-2-yl-urea

Systemtic Name: (E)-but-2-enedioic acid; 3-[2-(4-chlorophenyl)sulfonylethyl]-1-(2-dimethylaminoethyl)-1-propan-2-yl-urea Openeye Name: 3-[2-(4-chlorophenyl)sulfonylethyl]-1-(2-dimethylaminoethyl)-1-isopropyl-urea; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[2-(4-chlorophenyl)sulfonylethyl]-1-(2-dimethylaminoethyl)-1-propan-2-ylurea IUPAC Name: (E)-but-2-enedioic acid; 3-[2-(4-chlorophenyl)sulfonylethyl]-1-(2-dimethylaminoethyl)-1-propan-2-ylurea Traditional Name: 3-[2-(4-chlorophenyl)sulfonylethyl]-1-(2-dimethylaminoethyl)-1-isopropyl-urea; fumaric acid Formula: C20H30ClN3O7S MolecularWeight: 491.9861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCN(C)C)C(=O)NCCS(=O)(=O)C1=CC=C(C=C1)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N(CCN(C)C)C(=O)NCCS(=O)(=O)C1=CC=C(C=C1)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H26ClN3O3S.C4H4O4/c1-13(2)20(11-10-19(3)4)16(21)18-9-12-24(22,23)15-7-5-14(17)6-8-15;5-3(6)1-2-4(7)8/h5-8,13H,9-12H2,1-4H3,(H,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1+