methyl 2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-(naphthionylamino)acetyl]amino]hexanoic acid methyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

InChI

InChI=1S/C21H29N3O5S/c1-5-6-11-17(21(26)29-4)23-20(25)14-22-30(27,28)19-13-8-9-15-16(19)10-7-12-18(15)24(2)3/h7-10,12-13,17,22H,5-6,11,14H2,1-4H3,(H,23,25)