2-(2-oxidanylidene-7-piperidin-1-ylsulfonyl-4,5-dihydro-3H-1-benzazepin-1-yl)ethanoic acid

Systemtic Name: 2-(2-oxidanylidene-7-piperidin-1-ylsulfonyl-4,5-dihydro-3H-1-benzazepin-1-yl)ethanoic acid Openeye Name: 2-[2-oxo-7-(1-piperidylsulfonyl)-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[2-oxo-7-(1-piperidinylsulfonyl)-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-(2-oxo-7-piperidin-1-ylsulfonyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid Traditional Name: 2-(2-keto-7-piperidinosulfonyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)CCC3)CC(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)CCC3)CC(=O)O

InChI

InChI=1S/C17H22N2O5S/c20-16-6-4-5-13-11-14(7-8-15(13)19(16)12-17(21)22)25(23,24)18-9-2-1-3-10-18/h7-8,11H,1-6,9-10,12H2,(H,21,22)