7-[methylsulfonyl(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)amino]-3-quinolin-3-yl-heptanoic acid

Systemtic Name: 7-[methylsulfonyl(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)amino]-3-quinolin-3-yl-heptanoic acid Openeye Name: 7-[methylsulfonyl(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)amino]-3-(3-quinolyl)heptanoic acid CAS Name: 7-[methylsulfonyl(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)amino]-3-(3-quinolinyl)heptanoic acid IUPAC Name: 7-[methylsulfonyl(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)amino]-3-quinolin-3-ylheptanoic acid Traditional Name: 7-[mesyl(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)amino]-3-(3-quinolyl)enanthic acid Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCC(CC(=O)O)C1=CC2=CC=CC=C2N=C1)CC3=NC4=C(CCCN4)C=C3

Isomeric SMILES

CS(=O)(=O)N(CCCCC(CC(=O)O)C1=CC2=CC=CC=C2N=C1)CC3=NC4=C(CCCN4)C=C3

InChI

InChI=1S/C26H32N4O4S/c1-35(33,34)30(18-23-12-11-19-9-6-13-27-26(19)29-23)14-5-4-7-20(16-25(31)32)22-15-21-8-2-3-10-24(21)28-17-22/h2-3,8,10-12,15,17,20H,4-7,9,13-14,16,18H2,1H3,(H,27,29)(H,31,32)