4-[(2R)-2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butane-1-sulfonic acid

Systemtic Name: 4-[(2R)-2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butane-1-sulfonic acid Openeye Name: 4-[(2R)-2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butane-1-sulfonic acid CAS Name: 4-[(2R)-2-[oxo(propylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-1-butanesulfonic acid IUPAC Name: 4-[(2R)-2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butane-1-sulfonic acid Traditional Name: 4-[(2R)-2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butane-1-sulfonic acid Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)CCCCS(=O)(=O)O

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)CCCCS(=O)(=O)O

InChI

InChI=1S/C16H24N2O5S/c1-2-9-17-16(19)15-12-18(10-5-6-11-24(20,21)22)13-7-3-4-8-14(13)23-15/h3-4,7-8,15H,2,5-6,9-12H2,1H3,(H,17,19)(H,20,21,22)/t15-/m1/s1