N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2H-benzotriazole-5-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2H-benzotriazole-5-carboxamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=NNN=C3C=C2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=NNN=C3C=C2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H23N5O3S/c1-14-6-8-16(13-19(14)29(27,28)25-10-4-2-3-5-11-25)21-20(26)15-7-9-17-18(12-15)23-24-22-17/h6-9,12-13H,2-5,10-11H2,1H3,(H,21,26)(H,22,23,24)