2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-(4-methyl-3-morpholinosulfonyl-anilino)-5-nitro-benzonitrile CAS Name: 2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-5-nitrobenzonitrile IUPAC Name: 2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-5-nitrobenzonitrile Traditional Name: 2-(4-methyl-3-morpholinosulfonyl-anilino)-5-nitro-benzonitrile Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H18N4O5S/c1-13-2-3-15(11-18(13)28(25,26)21-6-8-27-9-7-21)20-17-5-4-16(22(23)24)10-14(17)12-19/h2-5,10-11,20H,6-9H2,1H3