N-[1-(azepan-1-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-[1-(azepan-1-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[1-(azepane-1-carbonyl)-3-methyl-butyl]-2-methyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-[1-(1-azepanyl)-4-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[1-(azepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-[1-(azepane-1-carbonyl)-3-methyl-butyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Formula: C20H29N3O3S2 MolecularWeight: 423.59256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC(C)C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC(C)C)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O3S2/c1-14(2)12-18(20(24)23-10-6-4-5-7-11-23)22-28(25,26)16-8-9-17-19(13-16)27-15(3)21-17/h8-9,13-14,18,22H,4-7,10-12H2,1-3H3