2-[(E)-2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]ethenyl]-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]ethenyl]-1,3-benzothiazole Openeye Name: 2-[(E)-2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]vinyl]-1,3-benzothiazole CAS Name: 2-[(E)-2-[3-(1-azepanylsulfonyl)-4-methoxyphenyl]ethenyl]-1,3-benzothiazole IUPAC Name: 2-[(E)-2-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]ethenyl]-1,3-benzothiazole Traditional Name: 2-[(E)-2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]vinyl]-1,3-benzothiazole Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H24N2O3S2/c1-27-19-12-10-17(11-13-22-23-18-8-4-5-9-20(18)28-22)16-21(19)29(25,26)24-14-6-2-3-7-15-24/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3/b13-11+