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

Systemtic Name: N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[[4-(1-azepanylmethyl)phenyl]methyl]-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[4-(azepan-1-ylmethyl)benzyl]-6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H30ClN3O4S MolecularWeight: 492.0307

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)CN4CCCCCC4

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)CN4CCCCCC4

InChI

InChI=1S/C24H30ClN3O4S/c1-33(30,31)28-17-23(32-22-11-10-20(25)14-21(22)28)24(29)26-15-18-6-8-19(9-7-18)16-27-12-4-2-3-5-13-27/h6-11,14,23H,2-5,12-13,15-17H2,1H3,(H,26,29)