2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoylsulfamic acid

Systemtic Name: 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoylsulfamic acid Openeye Name: [2-[4-[(5,6-diphenylpyrazin-2-yl)-isopropyl-amino]butoxy]acetyl]sulfamic acid CAS Name: [2-[4-[(5,6-diphenyl-2-pyrazinyl)-propan-2-ylamino]butoxy]-1-oxoethyl]sulfamic acid IUPAC Name: [2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butoxy]acetyl]sulfamic acid Traditional Name: [2-[4-[(5,6-diphenylpyrazin-2-yl)-isopropyl-amino]butoxy]acetyl]sulfamic acid Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCCOCC(=O)NS(=O)(=O)O)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)N(CCCCOCC(=O)NS(=O)(=O)O)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H30N4O5S/c1-19(2)29(15-9-10-16-34-18-23(30)28-35(31,32)33)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,28,30)(H,31,32,33)