N',N'-diethyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1-phenyl-ethane-1,2-diamine

Systemtic Name: N',N'-diethyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1-phenyl-ethane-1,2-diamine Openeye Name: N',N'-diethyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1-phenyl-ethane-1,2-diamine CAS Name: N',N'-diethyl-N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-phenylethane-1,2-diamine IUPAC Name: N',N'-diethyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-1-phenylethane-1,2-diamine Traditional Name: diethyl-[2-(2-nitro-4-pyrrolidinosulfonyl-anilino)-2-phenyl-ethyl]amine Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4S/c1-3-24(4-2)17-21(18-10-6-5-7-11-18)23-20-13-12-19(16-22(20)26(27)28)31(29,30)25-14-8-9-15-25/h5-7,10-13,16,21,23H,3-4,8-9,14-15,17H2,1-2H3