N-(4-methylcyclohexyl)-4-[(6-morpholin-4-ylpyridin-3-yl)methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-4-[(6-morpholin-4-ylpyridin-3-yl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-4-[(6-morpholino-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-4-[[6-(4-morpholinyl)-3-pyridinyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-4-[(6-morpholin-4-ylpyridin-3-yl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-4-[(6-morpholino-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O5S/c1-17-2-5-19(6-3-17)26-34(31,32)20-7-8-21(22(14-20)28(29)30)24-15-18-4-9-23(25-16-18)27-10-12-33-13-11-27/h4,7-9,14,16-17,19,24,26H,2-3,5-6,10-13,15H2,1H3