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4-methylsulfonyl-2-nitro-N-[3-(1-phenylethoxy)propyl]aniline

4-methylsulfonyl-2-nitro-N-[3-(1-phenylethoxy)propyl]aniline

Systemtic Name:4-methylsulfonyl-2-nitro-N-[3-(1-phenylethoxy)propyl]aniline
Openeye Name:4-methylsulfonyl-2-nitro-N-[3-(1-phenylethoxy)propyl]aniline
CAS Name:4-methylsulfonyl-2-nitro-N-[3-(1-phenylethoxy)propyl]aniline
IUPAC Name:4-methylsulfonyl-2-nitro-N-[3-(1-phenylethoxy)propyl]aniline
Traditional Name:(4-mesyl-2-nitro-phenyl)-[3-(1-phenylethoxy)propyl]amine
Formula: C18H22N2O5S
MolecularWeight: 378.44268
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OCCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]


Isomeric SMILES

CC(C1=CC=CC=C1)OCCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]


InChI

InChI=1S/C18H22N2O5S/c1-14(15-7-4-3-5-8-15)25-12-6-11-19-17-10-9-16(26(2,23)24)13-18(17)20(21)22/h3-5,7-10,13-14,19H,6,11-12H2,1-2H3


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