N-(cyclododecylideneamino)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-(cyclododecylideneamino)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-(cyclododecylideneamino)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-(cyclododecylideneamino)-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-(cyclododecylideneamino)-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (cyclododecylideneamino)-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C22H34N4O4S MolecularWeight: 450.59476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])CCCCC1

Isomeric SMILES

C1CCCCCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])CCCCC1

InChI

InChI=1S/C22H34N4O4S/c27-26(28)22-18-20(31(29,30)25-16-10-11-17-25)14-15-21(22)24-23-19-12-8-6-4-2-1-3-5-7-9-13-19/h14-15,18,24H,1-13,16-17H2