N-(1-adamantylmethyl)-2-methoxy-5-nitro-benzenesulfonamide

Systemtic Name: N-(1-adamantylmethyl)-2-methoxy-5-nitro-benzenesulfonamide Openeye Name: N-(1-adamantylmethyl)-2-methoxy-5-nitro-benzenesulfonamide CAS Name: N-(1-adamantylmethyl)-2-methoxy-5-nitrobenzenesulfonamide IUPAC Name: N-(1-adamantylmethyl)-2-methoxy-5-nitrobenzenesulfonamide Traditional Name: N-(1-adamantylmethyl)-2-methoxy-5-nitro-benzenesulfonamide Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H24N2O5S/c1-25-16-3-2-15(20(21)22)7-17(16)26(23,24)19-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14,19H,4-6,8-11H2,1H3