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

Systemtic Name: N-[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H28N2O5S/c30-27(29-14-12-21(13-15-29)18-20-4-2-1-3-5-20)22-6-8-23(9-7-22)28-35(31,32)24-10-11-25-26(19-24)34-17-16-33-25/h1-11,19,21,28H,12-18H2