3-(2-dimethylaminoethyl)-1-[2-(4-nitrophenyl)sulfonylethyl]-1-propan-2-yl-urea

Systemtic Name: 3-(2-dimethylaminoethyl)-1-[2-(4-nitrophenyl)sulfonylethyl]-1-propan-2-yl-urea Openeye Name: 3-(2-dimethylaminoethyl)-1-isopropyl-1-[2-(4-nitrophenyl)sulfonylethyl]urea CAS Name: 3-(2-dimethylaminoethyl)-1-[2-(4-nitrophenyl)sulfonylethyl]-1-propan-2-ylurea IUPAC Name: 3-(2-dimethylaminoethyl)-1-[2-(4-nitrophenyl)sulfonylethyl]-1-propan-2-ylurea Traditional Name: 3-(2-dimethylaminoethyl)-1-isopropyl-1-(2-nosylethyl)urea Formula: C16H26N4O5S MolecularWeight: 386.46644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCCN(C)C

Isomeric SMILES

CC(C)N(CCS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCCN(C)C

InChI

InChI=1S/C16H26N4O5S/c1-13(2)19(16(21)17-9-10-18(3)4)11-12-26(24,25)15-7-5-14(6-8-15)20(22)23/h5-8,13H,9-12H2,1-4H3,(H,17,21)