(E)-but-2-enedioic acid; 1-[3-(phenylsulfonyl)propyl]-3-(3-piperidin-1-ylpropyl)-1-propan-2-yl-urea

Systemtic Name: (E)-but-2-enedioic acid; 1-[3-(phenylsulfonyl)propyl]-3-(3-piperidin-1-ylpropyl)-1-propan-2-yl-urea Openeye Name: 1-[3-(benzenesulfonyl)propyl]-1-isopropyl-3-[3-(1-piperidyl)propyl]urea; fumaric acid CAS Name: 1-[3-(benzenesulfonyl)propyl]-3-[3-(1-piperidinyl)propyl]-1-propan-2-ylurea; (E)-2-butenedioic acid IUPAC Name: 1-[3-(benzenesulfonyl)propyl]-3-(3-piperidin-1-ylpropyl)-1-propan-2-ylurea; (E)-but-2-enedioic acid Traditional Name: 1-(3-besylpropyl)-1-isopropyl-3-(3-piperidinopropyl)urea; fumaric acid Formula: C25H39N3O7S MolecularWeight: 525.65806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCCN2CCCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N(CCCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCCN2CCCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H35N3O3S.C4H4O4/c1-19(2)24(17-10-18-28(26,27)20-11-5-3-6-12-20)21(25)22-13-9-16-23-14-7-4-8-15-23;5-3(6)1-2-4(7)8/h3,5-6,11-12,19H,4,7-10,13-18H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1+