4-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]butane-1-sulfonate

Systemtic Name: 4-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]butane-1-sulfonate Openeye Name: 4-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butane-1-sulfonate CAS Name: 4-[(2S)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-1-butanesulfonate IUPAC Name: 4-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butane-1-sulfonate Traditional Name: 4-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butane-1-sulfonate Formula: C18H25N2O5S- MolecularWeight: 381.4665

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CN(C3=CC=CC=C3O2)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C18H26N2O5S/c21-18(19-10-4-1-5-11-19)17-14-20(12-6-7-13-26(22,23)24)15-8-2-3-9-16(15)25-17/h2-3,8-9,17H,1,4-7,10-14H2,(H,22,23,24)/p-1/t17-/m0/s1