2-[[[2-(4-aminophenyl)-2-oxidanyl-ethyl]amino]methyl]-N-(1-phenylethyl)-3,4-dihydro-2H-chromene-6-sulfonamide

Systemtic Name: 2-[[[2-(4-aminophenyl)-2-oxidanyl-ethyl]amino]methyl]-N-(1-phenylethyl)-3,4-dihydro-2H-chromene-6-sulfonamide Openeye Name: 2-[[[2-(4-aminophenyl)-2-hydroxy-ethyl]amino]methyl]-N-(1-phenylethyl)chromane-6-sulfonamide CAS Name: 2-[[[2-(4-aminophenyl)-2-hydroxyethyl]amino]methyl]-N-(1-phenylethyl)-3,4-dihydro-2H-1-benzopyran-6-sulfonamide IUPAC Name: 2-[[[2-(4-aminophenyl)-2-hydroxyethyl]amino]methyl]-N-(1-phenylethyl)-3,4-dihydro-2H-chromene-6-sulfonamide Traditional Name: 2-[[[2-(4-aminophenyl)-2-hydroxy-ethyl]amino]methyl]-N-(1-phenylethyl)chroman-6-sulfonamide Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CC=C(C=C4)N)O

Isomeric SMILES

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CC=C(C=C4)N)O

InChI

InChI=1S/C26H31N3O4S/c1-18(19-5-3-2-4-6-19)29-34(31,32)24-13-14-26-21(15-24)9-12-23(33-26)16-28-17-25(30)20-7-10-22(27)11-8-20/h2-8,10-11,13-15,18,23,25,28-30H,9,12,16-17,27H2,1H3