N-[2-(4-methoxyphenoxy)-4-nitro-phenyl]methanesulfonamide; 4-methylcyclohexan-1-amine

Systemtic Name: N-[2-(4-methoxyphenoxy)-4-nitro-phenyl]methanesulfonamide; 4-methylcyclohexan-1-amine Openeye Name: N-[2-(4-methoxyphenoxy)-4-nitro-phenyl]methanesulfonamide; 4-methylcyclohexanamine CAS Name: N-[2-(4-methoxyphenoxy)-4-nitrophenyl]methanesulfonamide; 4-methyl-1-cyclohexanamine IUPAC Name: N-[2-(4-methoxyphenoxy)-4-nitrophenyl]methanesulfonamide; 4-methylcyclohexan-1-amine Traditional Name: N-[2-(4-methoxyphenoxy)-4-nitro-phenyl]methanesulfonamide; (4-methylcyclohexyl)amine Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N.COC1=CC=C(C=C1)OC2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C

Isomeric SMILES

CC1CCC(CC1)N.COC1=CC=C(C=C1)OC2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C

InChI

InChI=1S/C14H14N2O6S.C7H15N/c1-21-11-4-6-12(7-5-11)22-14-9-10(16(17)18)3-8-13(14)15-23(2,19)20;1-6-2-4-7(8)5-3-6/h3-9,15H,1-2H3;6-7H,2-5,8H2,1H3