N-[4-(azepan-1-ylsulfonyl)phenyl]-6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H26ClN3O6S2 MolecularWeight: 528.04134

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H26ClN3O6S2/c1-33(28,29)26-15-21(32-20-11-6-16(23)14-19(20)26)22(27)24-17-7-9-18(10-8-17)34(30,31)25-12-4-2-3-5-13-25/h6-11,14,21H,2-5,12-13,15H2,1H3,(H,24,27)