3-[(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidin-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidin-2-yl]pyridine Openeye Name: 3-[(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidin-2-yl]pyridine CAS Name: 3-[(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-pyrrolidinyl]pyridine IUPAC Name: 3-[(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidin-2-yl]pyridine Traditional Name: 3-[(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidin-2-yl]pyridine Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=CN=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=CN=CC=C4

InChI

InChI=1S/C18H20N2O4S/c21-25(22,15-6-7-17-18(12-15)24-11-3-10-23-17)20-9-2-5-16(20)14-4-1-8-19-13-14/h1,4,6-8,12-13,16H,2-3,5,9-11H2/t16-/m0/s1