N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3-benzothiazole-6-carboxamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CS3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CS3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O3S2/c1-15-6-8-17(13-20(15)29(26,27)24-10-4-2-3-5-11-24)23-21(25)16-7-9-18-19(12-16)28-14-22-18/h6-9,12-14H,2-5,10-11H2,1H3,(H,23,25)