N-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide

Systemtic Name: N-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide Openeye Name: N-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]thiophene-2-sulfonamide CAS Name: N-[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-2-thiophenesulfonamide IUPAC Name: N-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide Traditional Name: N-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]thiophene-2-sulfonamide Formula: C16H19N3O6S3 MolecularWeight: 445.53356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H19N3O6S3/c1-12-4-5-14(19(20)21)11-15(12)28(24,25)18-8-6-13(7-9-18)17-27(22,23)16-3-2-10-26-16/h2-5,10-11,13,17H,6-9H2,1H3