N-[3-(azepan-1-yl)propyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-tosyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)NCCCN4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)NCCCN4CCCCCC4

InChI

InChI=1S/C25H33N3O4S/c1-20-11-13-21(14-12-20)33(30,31)28-19-24(32-23-10-5-4-9-22(23)28)25(29)26-15-8-18-27-16-6-2-3-7-17-27/h4-5,9-14,24H,2-3,6-8,15-19H2,1H3,(H,26,29)