N-[4-[(3S)-3-methylpiperidin-1-yl]carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[4-[(3S)-3-methylpiperidin-1-yl]carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-[[(3S)-3-methyl-1-piperidinyl]-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O5S/c1-15-3-2-10-23(14-15)21(24)16-4-6-17(7-5-16)22-29(25,26)18-8-9-19-20(13-18)28-12-11-27-19/h4-9,13,15,22H,2-3,10-12,14H2,1H3/t15-/m0/s1