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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(benzotriazol-1-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(benzotriazol-1-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(1-benzotriazolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(benzotriazol-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(benzotriazol-1-yl)acetamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=N2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=N2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H25N5O3S/c1-16-10-11-17(14-20(16)30(28,29)25-12-6-2-3-7-13-25)22-21(27)15-26-19-9-5-4-8-18(19)23-24-26/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,22,27)