1-(4-aminophenyl)-2-[[6-(1-azanylbutylsulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]ethanol

Systemtic Name: 1-(4-aminophenyl)-2-[[6-(1-azanylbutylsulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]ethanol Openeye Name: 2-[[6-(1-aminobutylsulfonyl)chroman-2-yl]methylamino]-1-(4-aminophenyl)ethanol CAS Name: 2-[[6-(1-aminobutylsulfonyl)-3,4-dihydro-2H-1-benzopyran-2-yl]methylamino]-1-(4-aminophenyl)ethanol IUPAC Name: 2-[[6-(1-aminobutylsulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-(4-aminophenyl)ethanol Traditional Name: 2-[[6-(1-aminobutylsulfonyl)chroman-2-yl]methylamino]-1-(4-aminophenyl)ethanol Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N)S(=O)(=O)C1=CC2=C(C=C1)OC(CC2)CNCC(C3=CC=C(C=C3)N)O

Isomeric SMILES

CCCC(N)S(=O)(=O)C1=CC2=C(C=C1)OC(CC2)CNCC(C3=CC=C(C=C3)N)O

InChI

InChI=1S/C22H31N3O4S/c1-2-3-22(24)30(27,28)19-10-11-21-16(12-19)6-9-18(29-21)13-25-14-20(26)15-4-7-17(23)8-5-15/h4-5,7-8,10-12,18,20,22,25-26H,2-3,6,9,13-14,23-24H2,1H3