2-[4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]phenyl]ethanenitrile Openeye Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)phenyl]acetonitrile CAS Name: 2-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]phenyl]acetonitrile IUPAC Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)phenyl]acetonitrile Traditional Name: 2-[4-(2-nitro-4-pyrrolidinosulfonyl-anilino)phenyl]acetonitrile Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c19-10-9-14-3-5-15(6-4-14)20-17-8-7-16(13-18(17)22(23)24)27(25,26)21-11-1-2-12-21/h3-8,13,20H,1-2,9,11-12H2