N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1CCC[C@H](C1=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C18H26N4O4S/c1-13-6-5-7-14(2)18(13)20-19-16-9-8-15(12-17(16)22(23)24)27(25,26)21-10-3-4-11-21/h8-9,12-14,19H,3-7,10-11H2,1-2H3/t13-,14-/m1/s1