N-(2,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitro-benzenesulfonamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCC4(CC3)OCCO4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCC4(CC3)OCCO4)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O6S/c1-15-3-5-18(16(2)13-15)22-31(27,28)17-4-6-19(20(14-17)24(25)26)23-9-7-21(8-10-23)29-11-12-30-21/h3-6,13-14,22H,7-12H2,1-2H3