N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanamide Traditional Name: 4-[(2-keto-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-piperonyl-butyramide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NCCCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NCCCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O6S/c25-20(22-12-14-3-7-18-19(10-14)30-13-29-18)2-1-9-23-31(27,28)16-5-6-17-15(11-16)4-8-21(26)24-17/h3,5-7,10-11,23H,1-2,4,8-9,12-13H2,(H,22,25)(H,24,26)