2,5-dimethyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonyl-ethyl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonyl-ethyl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[(2S)-2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[(2S)-2-(3-pyridinyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide Traditional Name: 2,5-dimethyl-N-[(2S)-2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]benzenesulfonamide Formula: C19H20N2O4S3 MolecularWeight: 436.5681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC[C@H](C2=CN=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H20N2O4S3/c1-14-7-8-15(2)17(11-14)28(24,25)21-13-18(16-5-3-9-20-12-16)27(22,23)19-6-4-10-26-19/h3-12,18,21H,13H2,1-2H3/t18-/m1/s1