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

Systemtic Name: 5-chloranyl-2-[[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzoxazole Openeye Name: 5-chloro-2-[[4-(4-isopropylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzoxazole CAS Name: 5-chloro-2-[[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzoxazole IUPAC Name: 5-chloro-2-[[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzoxazole Traditional Name: 5-chloro-2-[(4-p-cumenylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H26ClN3O3S/c1-16(2)17-4-7-19(8-5-17)30(27,28)26-11-3-10-25(12-13-26)15-22-24-20-14-18(23)6-9-21(20)29-22/h4-9,14,16H,3,10-13,15H2,1-2H3