1,3-benzothiazol-6-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H23N3O3S2/c1-29(26,27)18-6-3-16(4-7-18)14-23-9-2-10-24(12-11-23)21(25)17-5-8-19-20(13-17)28-15-22-19/h3-8,13,15H,2,9-12,14H2,1H3