N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-(4-tert-butylphenyl)methyleneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(E)-(4-tert-butylbenzylidene)amino]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=N/NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4S/c1-21(2,3)17-8-6-16(7-9-17)15-22-23-19-11-10-18(14-20(19)25(26)27)30(28,29)24-12-4-5-13-24/h6-11,14-15,23H,4-5,12-13H2,1-3H3/b22-15+