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

Systemtic Name: 2-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[(5-morpholinosulfonyl-2-thienyl)methyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[[5-(4-morpholinylsulfonyl)-2-thiophenyl]methyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[(5-morpholinosulfonyl-2-thienyl)methyl]-5-nitro-benzenesulfonamide Formula: C16H19N3O7S3 MolecularWeight: 461.53296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H19N3O7S3/c1-12-2-3-13(19(20)21)10-15(12)28(22,23)17-11-14-4-5-16(27-14)29(24,25)18-6-8-26-9-7-18/h2-5,10,17H,6-9,11H2,1H3