3-[2-(dibutylamino)ethyl]-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea

Systemtic Name: 3-[2-(dibutylamino)ethyl]-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(dibutylamino)ethyl]-1-isopropyl-urea CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(dibutylamino)ethyl]-1-propan-2-ylurea IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(dibutylamino)ethyl]-1-propan-2-ylurea Traditional Name: 1-(2-besylethyl)-3-[2-(dibutylamino)ethyl]-1-isopropyl-urea Formula: C22H39N3O3S MolecularWeight: 425.62836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC(=O)N(CCS(=O)(=O)C1=CC=CC=C1)C(C)C

Isomeric SMILES

CCCCN(CCCC)CCNC(=O)N(CCS(=O)(=O)C1=CC=CC=C1)C(C)C

InChI

InChI=1S/C22H39N3O3S/c1-5-7-15-24(16-8-6-2)17-14-23-22(26)25(20(3)4)18-19-29(27,28)21-12-10-9-11-13-21/h9-13,20H,5-8,14-19H2,1-4H3,(H,23,26)