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

Systemtic Name: N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-(4-hexoxyphenyl)methyleneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(E)-(4-hexoxybenzylidene)amino]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C23H30N4O5S MolecularWeight: 474.5731

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=N/NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O5S/c1-2-3-4-7-16-32-20-10-8-19(9-11-20)18-24-25-22-13-12-21(17-23(22)27(28)29)33(30,31)26-14-5-6-15-26/h8-13,17-18,25H,2-7,14-16H2,1H3/b24-18+