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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-(phenylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-(benzenesulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-4-(benzenesulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-(benzenesulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-besyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4S/c28-24(25-15-10-18-26-16-8-1-2-9-17-26)23-19-27(21-13-6-7-14-22(21)31-23)32(29,30)20-11-4-3-5-12-20/h3-7,11-14,23H,1-2,8-10,15-19H2,(H,25,28)