4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)N3CC(OC4=CC=CC=C43)C(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)N3CC(OC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C24H27N3O5S/c25-24(29)22-17-27(20-7-3-4-8-21(20)32-22)23(28)14-11-18-9-12-19(13-10-18)33(30,31)26-15-5-1-2-6-16-26/h3-4,7-14,22H,1-2,5-6,15-17H2,(H2,25,29)/b14-11+