N1-cyclopropyl-N4,N4-dimethyl-2-nitro-N1-[(4-propan-2-ylphenyl)methyl]benzene-1,4-disulfonamide

Systemtic Name: N1-cyclopropyl-N4,N4-dimethyl-2-nitro-N1-[(4-propan-2-ylphenyl)methyl]benzene-1,4-disulfonamide Openeye Name: N1-cyclopropyl-N1-[(4-isopropylphenyl)methyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide CAS Name: N1-cyclopropyl-N4,N4-dimethyl-2-nitro-N1-[(4-propan-2-ylphenyl)methyl]benzene-1,4-disulfonamide IUPAC Name: 1-N-cyclopropyl-4-N,4-N-dimethyl-2-nitro-1-N-[(4-propan-2-ylphenyl)methyl]benzene-1,4-disulfonamide Traditional Name: N-cyclopropyl-N-(4-isopropylbenzyl)-N',N'-dimethyl-2-nitro-benzene-1,4-disulfonamide Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(C2CC2)S(=O)(=O)C3=C(C=C(C=C3)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(C2CC2)S(=O)(=O)C3=C(C=C(C=C3)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6S2/c1-15(2)17-7-5-16(6-8-17)14-23(18-9-10-18)32(29,30)21-12-11-19(13-20(21)24(25)26)31(27,28)22(3)4/h5-8,11-13,15,18H,9-10,14H2,1-4H3