9-azanyl-N-(2-azanylethyl)-1-[2-ethyl-3,4-bis(oxidanyl)phenyl]-N-phenyl-nonane-3-sulfonamide

Systemtic Name: 9-azanyl-N-(2-azanylethyl)-1-[2-ethyl-3,4-bis(oxidanyl)phenyl]-N-phenyl-nonane-3-sulfonamide Openeye Name: 9-amino-N-(2-aminoethyl)-1-(2-ethyl-3,4-dihydroxy-phenyl)-N-phenyl-nonane-3-sulfonamide CAS Name: 9-amino-N-(2-aminoethyl)-1-(2-ethyl-3,4-dihydroxyphenyl)-N-phenyl-3-nonanesulfonamide IUPAC Name: 9-amino-N-(2-aminoethyl)-1-(2-ethyl-3,4-dihydroxyphenyl)-N-phenylnonane-3-sulfonamide Traditional Name: 9-amino-N-(2-aminoethyl)-1-(2-ethyl-3,4-dihydroxy-phenyl)-N-phenyl-nonane-3-sulfonamide Formula: C25H39N3O4S MolecularWeight: 477.65986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1O)O)CCC(CCCCCCN)S(=O)(=O)N(CCN)C2=CC=CC=C2

Isomeric SMILES

CCC1=C(C=CC(=C1O)O)CCC(CCCCCCN)S(=O)(=O)N(CCN)C2=CC=CC=C2

InChI

InChI=1S/C25H39N3O4S/c1-2-23-20(14-16-24(29)25(23)30)13-15-22(12-8-3-4-9-17-26)33(31,32)28(19-18-27)21-10-6-5-7-11-21/h5-7,10-11,14,16,22,29-30H,2-4,8-9,12-13,15,17-19,26-27H2,1H3