N-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]naphthalene-1-sulfonamide dihydrochloride

Systemtic Name: N-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]naphthalene-1-sulfonamide dihydrochloride Openeye Name: N-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]naphthalene-1-sulfonamide dihydrochloride CAS Name: N-[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]-1-naphthalenesulfonamide dihydrochloride IUPAC Name: N-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]naphthalene-1-sulfonamide dihydrochloride Traditional Name: N-[4-hydroxy-3,5-bis(pyrrolidinomethyl)phenyl]naphthalene-1-sulfonamide dihydrochloride Formula: C26H33Cl2N3O3S MolecularWeight: 538.52952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NS(=O)(=O)C4=CC=CC5=CC=CC=C54.Cl.Cl

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NS(=O)(=O)C4=CC=CC5=CC=CC=C54.Cl.Cl

InChI

InChI=1S/C26H31N3O3S.2ClH/c30-26-21(18-28-12-3-4-13-28)16-23(17-22(26)19-29-14-5-6-15-29)27-33(31,32)25-11-7-9-20-8-1-2-10-24(20)25;;/h1-2,7-11,16-17,27,30H,3-6,12-15,18-19H2;2*1H