(E)-but-2-enedioate; 3-(2-diethylaminoethyl)-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea

Systemtic Name: (E)-but-2-enedioate; 3-(2-diethylaminoethyl)-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-isopropyl-urea; (E)-but-2-enedioate CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-propan-2-ylurea; (E)-2-butenedioate IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-propan-2-ylurea; (E)-but-2-enedioate Traditional Name: 1-(2-besylethyl)-3-(2-diethylaminoethyl)-1-isopropyl-urea fumarate Formula: C22H33N3O7S-2 MolecularWeight: 483.57832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)CCNC(=O)N(CCS(=O)(=O)C1=CC=CC=C1)C(C)C.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C18H31N3O3S.C4H4O4/c1-5-20(6-2)13-12-19-18(22)21(16(3)4)14-15-25(23,24)17-10-8-7-9-11-17;5-3(6)1-2-4(7)8/h7-11,16H,5-6,12-15H2,1-4H3,(H,19,22);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+