1-[2-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylethyl]benzotriazole

Systemtic Name: 1-[2-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylethyl]benzotriazole Openeye Name: 1-[2-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylethyl]benzotriazole CAS Name: 1-[2-[[2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]ethyl]benzotriazole IUPAC Name: 1-[2-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylethyl]benzotriazole Traditional Name: 1-[2-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylethyl]benzotriazole Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H26N4O3S/c1-28-18-12-10-17(11-13-18)20-8-3-2-6-14-25(20)29(26,27)16-15-24-21-9-5-4-7-19(21)22-23-24/h4-5,7,9-13,20H,2-3,6,8,14-16H2,1H3