N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonyl-ethyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonyl-ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2R)-2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2R)-2-(3-pyridinyl)-2-thiophen-2-ylsulfonylethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2R)-2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]-1,3-benzodioxole-5-sulfonamide Formula: C18H16N2O6S3 MolecularWeight: 452.52444

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)NCC(C3=CN=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)NC[C@@H](C3=CN=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H16N2O6S3/c21-28(22,18-4-2-8-27-18)17(13-3-1-7-19-10-13)11-20-29(23,24)14-5-6-15-16(9-14)26-12-25-15/h1-10,17,20H,11-12H2/t17-/m0/s1