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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Formula: C16H21N3O3S2 MolecularWeight: 367.48624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCC(=O)N3CCCCCC3

InChI

InChI=1S/C16H21N3O3S2/c1-12-18-14-7-6-13(10-15(14)23-12)24(21,22)17-11-16(20)19-8-4-2-3-5-9-19/h6-7,10,17H,2-5,8-9,11H2,1H3