methyl 2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C23H26N2O7S MolecularWeight: 474.52674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H26N2O7S/c1-30-23(27)18-5-2-3-6-19(18)24-22(26)16-9-11-25(12-10-16)33(28,29)17-7-8-20-21(15-17)32-14-4-13-31-20/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,24,26)