1-(4-pentoxynaphthalen-1-yl)sulfonylbenzotriazole

Systemtic Name: 1-(4-pentoxynaphthalen-1-yl)sulfonylbenzotriazole Openeye Name: 1-[(4-pentoxy-1-naphthyl)sulfonyl]benzotriazole CAS Name: 1-[(4-pentoxy-1-naphthalenyl)sulfonyl]benzotriazole IUPAC Name: 1-(4-pentoxynaphthalen-1-yl)sulfonylbenzotriazole Traditional Name: 1-[(4-amoxy-1-naphthyl)sulfonyl]benzotriazole Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H21N3O3S/c1-2-3-8-15-27-20-13-14-21(17-10-5-4-9-16(17)20)28(25,26)24-19-12-7-6-11-18(19)22-23-24/h4-7,9-14H,2-3,8,15H2,1H3