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

Systemtic Name: 5-chloranyl-2-[(4-propylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole Openeye Name: 5-chloro-2-[(4-propylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole CAS Name: 5-chloro-2-[(4-propylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole IUPAC Name: 5-chloro-2-[(4-propylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole Traditional Name: 5-chloro-2-[(4-propylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole Formula: C16H22ClN3O3S MolecularWeight: 371.88218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O3S/c1-2-10-24(21,22)20-7-3-6-19(8-9-20)12-16-18-14-11-13(17)4-5-15(14)23-16/h4-5,11H,2-3,6-10,12H2,1H3