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

Systemtic Name: (E)-but-2-enedioate; 1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)urea Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-1-isopropyl-3-(2-pyrrolidin-1-ylethyl)urea; (E)-but-2-enedioate CAS Name: 1-[2-(benzenesulfonyl)ethyl]-1-propan-2-yl-3-[2-(1-pyrrolidinyl)ethyl]urea; (E)-2-butenedioate IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-1-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)urea; (E)-but-2-enedioate Traditional Name: 1-(2-besylethyl)-1-isopropyl-3-(2-pyrrolidinoethyl)urea fumarate Formula: C22H31N3O7S-2 MolecularWeight: 481.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCN2CCCC2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)N(CCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCN2CCCC2.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C18H29N3O3S.C4H4O4/c1-16(2)21(18(22)19-10-13-20-11-6-7-12-20)14-15-25(23,24)17-8-4-3-5-9-17;5-3(6)1-2-4(7)8/h3-5,8-9,16H,6-7,10-15H2,1-2H3,(H,19,22);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+