3-[3-(4-methylpiperazin-1-yl)propyl]-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea

Systemtic Name: 3-[3-(4-methylpiperazin-1-yl)propyl]-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-1-isopropyl-3-[3-(4-methylpiperazin-1-yl)propyl]urea CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-[3-(4-methyl-1-piperazinyl)propyl]-1-propan-2-ylurea IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylurea Traditional Name: 1-(2-besylethyl)-1-isopropyl-3-[3-(4-methylpiperazino)propyl]urea Formula: C20H34N4O3S MolecularWeight: 410.57396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCCN2CCN(CC2)C

Isomeric SMILES

CC(C)N(CCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCCN2CCN(CC2)C

InChI

InChI=1S/C20H34N4O3S/c1-18(2)24(16-17-28(26,27)19-8-5-4-6-9-19)20(25)21-10-7-11-23-14-12-22(3)13-15-23/h4-6,8-9,18H,7,10-17H2,1-3H3,(H,21,25)