3-[2-(azepan-1-yl)ethyl]-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea; ethanedioate

Systemtic Name: 3-[2-(azepan-1-yl)ethyl]-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea; ethanedioate Openeye Name: 3-[2-(azepan-1-yl)ethyl]-1-[2-(benzenesulfonyl)ethyl]-1-isopropyl-urea; oxalate CAS Name: 3-[2-(1-azepanyl)ethyl]-1-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylurea; oxalate IUPAC Name: 3-[2-(azepan-1-yl)ethyl]-1-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylurea; oxalate Traditional Name: 3-[2-(azepan-1-yl)ethyl]-1-(2-besylethyl)-1-isopropyl-urea; oxalate Formula: C22H33N3O7S-2 MolecularWeight: 483.57832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCN2CCCCCC2.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(C)N(CCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCN2CCCCCC2.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C20H33N3O3S.C2H2O4/c1-18(2)23(16-17-27(25,26)19-10-6-5-7-11-19)20(24)21-12-15-22-13-8-3-4-9-14-22;3-1(4)2(5)6/h5-7,10-11,18H,3-4,8-9,12-17H2,1-2H3,(H,21,24);(H,3,4)(H,5,6)/p-2