2,3-dimethyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-[(5-morpholinosulfonyl-2-thienyl)methyl]-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[[5-(4-morpholinylsulfonyl)-2-thiophenyl]methyl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-[(5-morpholinosulfonyl-2-thienyl)methyl]-5-nitro-benzenesulfonamide Formula: C17H21N3O7S3 MolecularWeight: 475.55954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O7S3/c1-12-9-14(20(21)22)10-16(13(12)2)29(23,24)18-11-15-3-4-17(28-15)30(25,26)19-5-7-27-8-6-19/h3-4,9-10,18H,5-8,11H2,1-2H3