N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide

Systemtic Name: N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide Openeye Name: N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]thiophene-2-sulfonamide CAS Name: N-[1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-2-thiophenesulfonamide IUPAC Name: N-[1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide Traditional Name: N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]thiophene-2-sulfonamide Formula: C17H21N3O6S3 MolecularWeight: 459.56014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O6S3/c1-12-10-15(20(21)22)11-16(13(12)2)29(25,26)19-7-5-14(6-8-19)18-28(23,24)17-4-3-9-27-17/h3-4,9-11,14,18H,5-8H2,1-2H3