4-[(2-methoxyphenyl)methylamino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(2-methoxyphenyl)methylamino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[(2-methoxyphenyl)methylamino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-[(2-methoxyphenyl)methylamino]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2-methoxyphenyl)methylamino]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-3-nitro-4-(o-anisylamino)benzenesulfonamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S/c1-15-7-9-17(10-8-15)23-30(27,28)18-11-12-19(20(13-18)24(25)26)22-14-16-5-3-4-6-21(16)29-2/h3-6,11-13,15,17,22-23H,7-10,14H2,1-2H3