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

Systemtic Name: (E)-but-2-enedioate; 1-[2-(phenylsulfonyl)ethyl]-3-(2-piperidin-1-ylethyl)-1-propan-2-yl-urea Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-1-isopropyl-3-[2-(1-piperidyl)ethyl]urea; (E)-but-2-enedioate CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(1-piperidinyl)ethyl]-1-propan-2-ylurea; (E)-2-butenedioate IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-piperidin-1-ylethyl)-1-propan-2-ylurea; (E)-but-2-enedioate Traditional Name: 1-(2-besylethyl)-1-isopropyl-3-(2-piperidinoethyl)urea fumarate Formula: C23H33N3O7S-2 MolecularWeight: 495.58902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCN2CCCCC2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)N(CCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCN2CCCCC2.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C19H31N3O3S.C4H4O4/c1-17(2)22(15-16-26(24,25)18-9-5-3-6-10-18)19(23)20-11-14-21-12-7-4-8-13-21;5-3(6)1-2-4(7)8/h3,5-6,9-10,17H,4,7-8,11-16H2,1-2H3,(H,20,23);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+