N-[(2S)-2-(phenylsulfonyl)-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[(2S)-2-(phenylsulfonyl)-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2S)-2-(benzenesulfonyl)-2-(3-pyridyl)ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2S)-2-(benzenesulfonyl)-2-(3-pyridinyl)ethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2S)-2-besyl-2-(3-pyridyl)ethyl]-1,3-benzodioxole-5-sulfonamide Formula: C20H18N2O6S2 MolecularWeight: 446.49672

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6S2/c23-29(24,16-6-2-1-3-7-16)20(15-5-4-10-21-12-15)13-22-30(25,26)17-8-9-18-19(11-17)28-14-27-18/h1-12,20,22H,13-14H2/t20-/m1/s1