1-[4-[4-[3-azanyl-3-(hydroxymethyl)-4-oxidanyl-butyl]phenyl]thiophen-2-yl]hexan-1-one

Systemtic Name: 1-[4-[4-[3-azanyl-3-(hydroxymethyl)-4-oxidanyl-butyl]phenyl]thiophen-2-yl]hexan-1-one Openeye Name: 1-[4-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]-2-thienyl]hexan-1-one CAS Name: 1-[4-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]-2-thiophenyl]-1-hexanone IUPAC Name: 1-[4-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]thiophen-2-yl]hexan-1-one Traditional Name: 1-[4-[4-(3-amino-4-hydroxy-3-methylol-butyl)phenyl]-2-thienyl]hexan-1-one Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC(=CS1)C2=CC=C(C=C2)CCC(CO)(CO)N

Isomeric SMILES

CCCCCC(=O)C1=CC(=CS1)C2=CC=C(C=C2)CCC(CO)(CO)N

InChI

InChI=1S/C21H29NO3S/c1-2-3-4-5-19(25)20-12-18(13-26-20)17-8-6-16(7-9-17)10-11-21(22,14-23)15-24/h6-9,12-13,23-24H,2-5,10-11,14-15,22H2,1H3