3-(2-diethylaminoethyl)-1-[5-(phenylsulfonyl)pentyl]-1-propan-2-yl-urea

Systemtic Name: 3-(2-diethylaminoethyl)-1-[5-(phenylsulfonyl)pentyl]-1-propan-2-yl-urea Openeye Name: 1-[5-(benzenesulfonyl)pentyl]-3-(2-diethylaminoethyl)-1-isopropyl-urea CAS Name: 1-[5-(benzenesulfonyl)pentyl]-3-(2-diethylaminoethyl)-1-propan-2-ylurea IUPAC Name: 1-[5-(benzenesulfonyl)pentyl]-3-(2-diethylaminoethyl)-1-propan-2-ylurea Traditional Name: 1-(5-besylpentyl)-3-(2-diethylaminoethyl)-1-isopropyl-urea Formula: C21H37N3O3S MolecularWeight: 411.60178

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)N(CCCCCS(=O)(=O)C1=CC=CC=C1)C(C)C

Isomeric SMILES

CCN(CC)CCNC(=O)N(CCCCCS(=O)(=O)C1=CC=CC=C1)C(C)C

InChI

InChI=1S/C21H37N3O3S/c1-5-23(6-2)17-15-22-21(25)24(19(3)4)16-11-8-12-18-28(26,27)20-13-9-7-10-14-20/h7,9-10,13-14,19H,5-6,8,11-12,15-18H2,1-4H3,(H,22,25)