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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H26N2O7S/c1-15-13-17(23(27)28)3-5-19(15)24-22(26)16-7-9-25(10-8-16)33(29,30)18-4-6-20-21(14-18)32-12-2-11-31-20/h3-6,13-14,16H,2,7-12H2,1H3,(H,24,26)(H,27,28)