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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O5S/c1-12(2)19(16(21)17-10-11-18(4)5)13(3)26(24,25)15-8-6-14(7-9-15)20(22)23/h6-9,12-13H,10-11H2,1-5H3,(H,17,21)