[2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C26H26N4O4S/c1-19-13-14-25(24(17-19)30-27-22-11-4-5-12-23(22)28-30)34-26(31)20-9-8-10-21(18-20)35(32,33)29-15-6-2-3-7-16-29/h4-5,8-14,17-18H,2-3,6-7,15-16H2,1H3