2-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3-benzothiazole

Systemtic Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3-benzothiazole Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3-benzothiazole CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1,3-benzothiazole IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3-benzothiazole Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H22N2O2S2/c1-15-10-11-16(20-21-17-8-4-5-9-18(17)25-20)14-19(15)26(23,24)22-12-6-2-3-7-13-22/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3