(3S)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[4-[(2S)-2-methylpiperidino]sulfonylphenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N2O5S/c1-15-6-4-5-13-23(15)29(25,26)17-11-9-16(10-12-17)22-21(24)20-14-27-18-7-2-3-8-19(18)28-20/h2-3,7-12,15,20H,4-6,13-14H2,1H3,(H,22,24)/t15-,20-/m0/s1