4-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(2-morpholinosulfonylphenyl)methylamino]-3-nitro-benzonitrile CAS Name: 4-[[2-(4-morpholinylsulfonyl)phenyl]methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-3-nitrobenzonitrile Traditional Name: 4-[(2-morpholinosulfonylbenzyl)amino]-3-nitro-benzonitrile Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

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