5-chloranyl-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole

Systemtic Name: 5-chloranyl-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole Openeye Name: 5-chloro-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole CAS Name: 5-chloro-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole IUPAC Name: 5-chloro-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole Traditional Name: 5-chloro-2-[(4-mesyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CC2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CC2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C14H18ClN3O3S/c1-22(19,20)18-6-2-5-17(7-8-18)10-14-16-12-9-11(15)3-4-13(12)21-14/h3-4,9H,2,5-8,10H2,1H3