2-[4-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]phenyl]ethanenitrile Openeye Name: 2-[4-(4-morpholinosulfonyl-2-nitro-anilino)phenyl]acetonitrile CAS Name: 2-[4-[4-(4-morpholinylsulfonyl)-2-nitroanilino]phenyl]acetonitrile IUPAC Name: 2-[4-(4-morpholin-4-ylsulfonyl-2-nitroanilino)phenyl]acetonitrile Traditional Name: 2-[4-(4-morpholinosulfonyl-2-nitro-anilino)phenyl]acetonitrile Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c19-8-7-14-1-3-15(4-2-14)20-17-6-5-16(13-18(17)22(23)24)28(25,26)21-9-11-27-12-10-21/h1-6,13,20H,7,9-12H2