N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[5-(2-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[5-(2-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[5-(o-tolyl)tetrazol-2-yl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[5-(2-methylphenyl)-2-tetrazolyl]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[5-(o-tolyl)tetrazol-2-yl]acetamide Formula: C22H25ClN6O3S MolecularWeight: 488.9903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(N=N2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=CC=CC=C1C2=NN(N=N2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C22H25ClN6O3S/c1-16-8-4-5-9-18(16)22-25-27-29(26-22)15-21(30)24-20-14-17(10-11-19(20)23)33(31,32)28-12-6-2-3-7-13-28/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,30)